SCHEMBL18876369

SCHEMBL18876369

C=CCc1cc(F)c(N2CCCCC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ HTT P42858 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 3/20 0.32
▸ TNKS O95271 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL17422224 0.77 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2MAPTKMT2ATP53
SCHEMBL18876436 0.77 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2HPGDLMNA
SCHEMBL5017571 0.77 KMT2A (0.53) ALDH1A1HTTSMN1; SMN2TRPV1HPGD
SCHEMBL21444532 0.77 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2TRPV1HPGD
SCHEMBL21593841 0.71 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2TRPV1HPGD
SCHEMBL9832077 0.71 RAB9A (0.46) ALDH1A1HTTSMN1; SMN2HPGDTSHR
SCHEMBL24358787 0.71 TNKS (0.40) ALDH1A1SMN1; SMN2HPGDTSHRTNKS
SCHEMBL11117970 0.71 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2HPGDLMNA
SCHEMBL5134023 0.71 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2HPGDLMNA
SCHEMBL18876504 0.70 MAPK1 (0.40) ALDH1A1HTTSMN1; SMN2HPGDLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 — — US disclosed
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 — — US disclosed
US-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-05-25 — — 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 (2 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-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TNKS, TPI1 ALDH1A1 2244/4885HTT 1369/4885SMN1; SMN2 1022/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 ALDH1A1 2275/4885HTT 1733/4885SMN1; SMN2 1306/4885

“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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