SCHEMBL2330722

SCHEMBL2330722

CCn1c(C(=O)O)cc2ccsc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.50
TSHR P16473 7/20 0.46
KDM1A O60341 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.42
USP2 O75604 2/20 0.40
CCR9 P51686 1/20 0.39
HPGD P15428 2/20 0.39
CCR2 P41597 1/20 0.39
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2331226 0.88 KDM1A (0.47) GPR35TSHRKDM1ARCOR1L3MBTL1
SCHEMBL17560051 0.82 TSHR (0.52) TSHRL3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL28551725 0.81 TSHR (0.47) TSHRKDM1ARCOR1L3MBTL1LMNA
SCHEMBL28833751 0.80 L3MBTL1 (0.43) TSHRKDM1ARCOR1L3MBTL1LMNA
SCHEMBL28538325 0.79 NOTUM (0.41) TSHRKDM1ARCOR1L3MBTL1LMNA
SCHEMBL17554479 0.78 KDM1A (0.64) GPR35TSHRKDM1ARCOR1L3MBTL1
SCHEMBL28833744 0.77 FEN1 (0.44) TSHRKDM1ARCOR1L3MBTL1LMNA
SCHEMBL18345011 0.75 TSHR (0.50) GPR35TSHRKDM1ARCOR1L3MBTL1
SCHEMBL25060152 0.75 MAPT (0.52) TSHRKDM1ARCOR1L3MBTL1LMNA
SCHEMBL5885340 0.75 KDM1A (0.46) GPR35TSHRKDM1ARCOR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189059-B1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2023-02-22 EP disclosed
EP-3189059-B1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2023-02-22 EP disclosed
US-10183952-B2 Thienopyrroles as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2019-01-22 US disclosed
US-10183952-B2 Thienopyrroles as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2019-01-22 US disclosed
US-20170260197-A1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-09-14 US disclosed
US-20170260197-A1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-09-14 US disclosed
US-20170260197-A1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-09-14 US disclosed
EP-3189059-A2 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS Istituto Europeo di Oncologia S.r.l. (IT) 2017-07-12 EP disclosed
WO-2016034946-A2 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2016-03-10 WO disclosed
WO-2016034946-A2 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2016-03-10 WO disclosed
US-20130178453-A1 Cannabinoid Agonists IRONWOOD PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
WO-2011100359-A1 CANNABINOID AGONISTS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-08-18 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 (3 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-10183952-B2 Thienopyrroles as histone demethylase inhibitors KDM1A, KDM1B, KDM3A GPR35 2822/4885TSHR 1132/4885KDM1A 1/4885
US-20170260197-A1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS KDM1A, KDM1B, KDM3A GPR35 2822/4885TSHR 1132/4885KDM1A 1/4885
US-20130178453-A1 Cannabinoid Agonists CNR2, CNR1, GPR18 GPR35 8/4885TSHR 757/4885KDM1A 2559/4885

“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.