SCHEMBL18990791

SCHEMBL18990791

O=C(O)CCn1c(C2CCCCC2)cc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
USP2 O75604 1/20 0.60
ALDH1A1 P00352 3/20 0.56
FABP4 P15090 2/20 0.47
FABP3 P05413 1/20 0.47
FABP5 Q01469 1/20 0.47
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
APEX1 P27695 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR2 P34972 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL18991401 0.81 L3MBTL1 (0.53) POLBUSP2ALDH1A1KDM4EKMT2A
SCHEMBL11557939 0.76 TMEM97 (0.48) CNR2LMNA
SCHEMBL11556885 0.76 TMEM97 (0.48) CNR2LMNA
SCHEMBL15971194 0.76 CNR2 (0.41) POLBUSP2ALDH1A1KDM4EKMT2A
SCHEMBL11556504 0.75 SMN1; SMN2 (0.48) POLBUSP2ALDH1A1KDM4EKMT2A
SCHEMBL11559529 0.75 HIF1A (0.47) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL18991537 0.75 USP2 (1.00) POLBUSP2KDM4EKMT2ASMN1; SMN2
SCHEMBL18838544 0.75 ALDH1A1 (0.64) POLBALDH1A1FABP4FABP3FABP5
SCHEMBL11558957 0.74 HIF1A (0.46) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL11557562 0.74 SMN1; SMN2 (0.49) POLBUSP2ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11752128-B2 Benzimidazoles and indoles as taro inhibitors MERCK SHARP & DOHME CORPORATION (US) 2023-09-12 US disclosed
EP-3389785-B1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS MERCK SHARP & DOHME (US) 2023-08-16 EP disclosed
US-20210346344-A1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-11 US disclosed
US-11141403-B2 Benzimidazoles and indoles as taro inhibitors MERCK SHARP & DOHME CORP (US) 2021-10-12 US disclosed
US-20200261410-A1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
EP-3389785-A1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-10-24 EP disclosed
WO-2017106134-A1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO 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 (4 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-11141403-B2 Benzimidazoles and indoles as taro inhibitors CSDE1, IDO1, TMBIM6 POLB 343/4885USP2 4637/4885ALDH1A1 2028/4885
US-20210346344-A1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS CSDE1, IDO1, TMBIM6 POLB 343/4885USP2 4637/4885ALDH1A1 2028/4885
US-11752128-B2 Benzimidazoles and indoles as taro inhibitors CSDE1, IDO1, TMBIM6 POLB 343/4885USP2 4637/4885ALDH1A1 2028/4885
US-20200261410-A1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS CSDE1, IDO1, TMBIM6 POLB 343/4885USP2 4637/4885ALDH1A1 2028/4885

“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.