SCHEMBL194868

SCHEMBL194868

N#CC(C#N)CC(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ LMNA P02545 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ ALPG P10696 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 3/20 0.46
▸ HPGD P15428 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HTR7 P34969 1/20 0.44
▸ PLOD2 O00469 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CA1 P00915 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28221563 0.83 GSK3B (0.53) NPC1RAB9AKMT2AHPGDNPSR1
SCHEMBL194701 0.81 GSK3B (0.52) ALDH1A1NPC1RAB9AKMT2ACES2
SCHEMBL193893 0.81 ALDH1A1 (0.50) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL194154 0.81 TSHR (0.57) SMN1; SMN2LMNAALDH1A1NPC1PTPN1
SCHEMBL13664176 0.81 PTPN1 (0.54) ALDH1A1PTPN1CES2CES1MAPT
SCHEMBL5745855 0.80 LMNA (0.45) SMN1; SMN2LMNAALDH1A1ALPGNPC1
SCHEMBL28220957 0.79 HDAC3 (0.44) SMN1; SMN2RAB9AKDM4E
SCHEMBL8696883 0.78 KMT2A (0.60) SMN1; SMN2LMNAALDH1A1ALPGNPC1
SCHEMBL194501 0.77 HDAC3 (0.54) LMNAALDH1A1NPC1RAB9AKMT2A
SCHEMBL8700030 0.75 KMT2A (0.67) SMN1; SMN2LMNAALDH1A1ALPGKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-08 — — US disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 — — US disclosed
US-11498898-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-11-15 — — US disclosed
CN-114835619-A Process for preparing azole compounds 武田药品工业株式会社 2022-08-02 — — CN disclosed
EP-3929187-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-12-29 — — EP disclosed
US-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — US disclosed
US-10844011-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-24 — — US disclosed
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-04-16 — — US disclosed
EP-3613734-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-02-26 — — EP disclosed
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME TAKEDA PHARMACEUTICALS CO (JP) 2019-05-02 — — US disclosed
US-20180009746-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-01-11 — — US disclosed
EP-3241826-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-11-08 — — EP disclosed
EP-2765130-B1 Intermediates for use in a process of producing pyrrole compounds TAKEDA PHARMACEUTICALS CO (JP) 2017-07-26 — — EP disclosed
EP-2402313-B1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-08-24 — — EP disclosed
US-9266831-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-23 — — US disclosed
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-10-09 — — US disclosed
US-8822694-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 — — US disclosed
EP-2765130-A2 Process for producing pyrrole compound Takeda Pharmaceutical Company Limited (JP) 2014-08-13 — — EP disclosed
EP-2402313-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-01-04 — — EP disclosed
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD SMN1; SMN2 3160/4885LMNA 4586/4885ALDH1A1 1184/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD SMN1; SMN2 3160/4885LMNA 4586/4885ALDH1A1 1184/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD SMN1; SMN2 4810/4885LMNA 3456/4885ALDH1A1 1045/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD SMN1; SMN2 3160/4885LMNA 4586/4885ALDH1A1 1184/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD SMN1; SMN2 3160/4885LMNA 4586/4885ALDH1A1 1184/4885
US-20180009746-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD SMN1; SMN2 3160/4885LMNA 4586/4885ALDH1A1 1184/4885
US-20190127324-A1 5-ARYL-1H-PYRROLE-3-CARBONITRILE AND A PHARMACEUTICAL PRODUCT USING THE SAME CYP3A5, CYP3A4, CBR3 SMN1; SMN2 2448/4885LMNA 3842/4885ALDH1A1 467/4885
US-20140303378-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD SMN1; SMN2 3160/4885LMNA 4586/4885ALDH1A1 1184/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD SMN1; SMN2 3160/4885LMNA 4586/4885ALDH1A1 1184/4885
US-20110306769-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD SMN1; SMN2 3160/4885LMNA 4586/4885ALDH1A1 1184/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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