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
SCHEMBL193893 0.81 ALDH1A1 (0.50) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL194701 0.81 GSK3B (0.52) ALDH1A1NPC1RAB9AKMT2ACES2
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.