SCHEMBL4351598

SCHEMBL4351598

CN1C(=O)C2(NN=C(c3ccccc3)S2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 17/20 1.00
▸ MMP12 P39900 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MDM2 Q00987 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SLC27A2 O14975 1/20 0.48
▸ ADAMTS4 O75173 1/20 0.47
▸ RECQL P46063 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL4192767 0.91 ADAMTS5 (1.00) ADAMTS5MMP12SMN1; SMN2ALDH1A1LMNA
SCHEMBL4984812 0.88 ADAMTS5 (1.00) ADAMTS5MMP12ADAMTS4
SCHEMBL15928242 0.87 ADAMTS5 (0.76) ADAMTS5MMP12SMN1; SMN2MEN1ALDH1A1
SCHEMBL6272079 0.86 ADAMTS5 (0.74) ADAMTS5MMP12SMN1; SMN2MEN1ALDH1A1
SCHEMBL6277083 0.84 ADAMTS5 (0.72) ADAMTS5MMP12SMN1; SMN2MEN1ALDH1A1
SCHEMBL6274220 0.84 ADAMTS5 (0.72) ADAMTS5MMP12SMN1; SMN2MEN1ALDH1A1
SCHEMBL4978954 0.84 ADAMTS5 (1.00) ADAMTS5MMP12SMN1; SMN2MEN1ALDH1A1
SCHEMBL4355104 0.84 ADAMTS5 (0.72) ADAMTS5MMP12SMN1; SMN2MEN1ALDH1A1
SCHEMBL4983832 0.83 ADAMTS5 (1.00) ADAMTS5MMP12SMN1; SMN2MEN1ALDH1A1
SCHEMBL6274147 0.81 ADAMTS5 (0.67) ADAMTS5MMP12SMN1; SMN2MEN1ALDH1A1

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-2032584-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Wyeth (US) 2009-03-11 — — EP claimed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 — — US claimed
WO-2007146138-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF WYETH (US) 2007-12-21 — — WO claimed
WO-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 — — WO claimed
US-20220202785-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 — — US disclosed
WO-2020214896-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-10-22 — — WO disclosed
US-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 — — US disclosed
US-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 — — US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 — — US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 — — US disclosed
WO-2013033392-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2013-03-07 — — WO disclosed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 — — 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 (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-20220202785-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS GPR68, GPR65, GPR4 ADAMTS5 3017/4885MMP12 1094/4885SMN1; SMN2 991/4885
US-20080125469-A1 Thiadiazole compounds and methods of use thereof ADAMTS5, ADAMTS1, TIMP3 ADAMTS5 1/4885MMP12 26/4885SMN1; SMN2 876/4885
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS XPOT, FANCI, XPO5 ADAMTS5 712/4885MMP12 3102/4885SMN1; SMN2 1906/4885

“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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