SCHEMBL4368113

SCHEMBL4368113

O=C(c1ccccc1)C(O)(CN1CCOCC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 1/20 0.51
LMNA P02545 4/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
HIF1A Q16665 1/20 0.48
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL11367108 0.86 KMT2A (0.47) ALDH1A1KMT2AMEN1LMNAOPRM1
SCHEMBL27296766 0.86 KMT2A (0.55) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6202673 0.85 KMT2A (0.50) ALDH1A1KMT2AMEN1LMNAOPRM1
SCHEMBL10384757 0.82 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL14384877 0.81 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTLMNAOPRM1
SCHEMBL11346457 0.80 LMNA (0.47) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL10558801 0.78 OPRM1 (0.51) ALDH1A1KMT2AMEN1LMNAOPRM1
SCHEMBL2816545 0.75 MEN1 (0.56) KMT2AMEN1LMNAOPRM1OPRD1
SCHEMBL30660943 0.75 MAOB (0.49) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL11292012 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1LMNA

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
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US disclosed
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-28 US disclosed
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-03-02 US disclosed
US-9902728-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-02-27 US disclosed
US-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2016-06-30 US disclosed
US-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
US-4257859-A Benzoin photoinitiator containing a quaternary ammonium group in photo curable composition and process BASF AKTIENGESELLSCHAFT (DE) 1981-03-24 US disclosed
EP-0008638-A1 Derivatives of benzoin with a quaternary amino group, process for their preparation and their use BASF Aktiengesellschaft (DE) 1980-03-19 EP 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 (5 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-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 ALDH1A1 2705/4885KMT2A 2158/4885MAPT 1391/4885
US-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 ALDH1A1 830/4885KMT2A 4268/4885MAPT 3059/4885
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 ALDH1A1 2705/4885KMT2A 2158/4885MAPT 1391/4885
US-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 ALDH1A1 2705/4885KMT2A 2158/4885MAPT 1391/4885
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 ALDH1A1 2705/4885KMT2A 2158/4885MAPT 1391/4885

“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.