SCHEMBL3028528

SCHEMBL3028528

Cc1ccc(NC(=O)NCCN2CCN=C2c2ccccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CNR1 P21554 4/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASR P41180 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ MEN1 O00255 1/20 0.41

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
Hydrochloric Acid SCHEMBL11194151 0.99 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2CNR1TSHR
SCHEMBL11195815 0.89 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2CNR1TSHR
Hydrochloric Acid SCHEMBL11190936 0.88 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2CNR1TSHR
Hydrochloric Acid SCHEMBL11182084 0.88 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2CNR1TSHR
SCHEMBL11191223 0.87 KDM4E (0.53) KDM4EALDH1A1CNR1TSHRMEN1
Hydrochloric Acid SCHEMBL11179893 0.87 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2TSHRCASR
Hydrochloric Acid SCHEMBL11195804 0.84 NPSR1 (0.50) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL11190681 0.82 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2TSHRCASR
SCHEMBL11182832 0.81 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2CNR1TSHR
SCHEMBL11184801 0.80 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2CNR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004561-B1 UREA AND AMIDE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICALS CONTAINING THEM AND THEIR USE FOR PREPARING PHARMACEUTICAL COMPOSITIONS CIBA-GEIGY AG (CH) 1981-11-04 — — EP claimed
US-20100216817-A1 Antitumoral Tetrahydro-Pyrimidines PHARMA MAR SA (ES) 2010-08-26 — — US disclosed
EP-1879870-A1 ANTITUMORAL TETRAHYDRO-PYRIMIDINES Pharma Mar, S.A. (ES) 2008-01-23 — — EP disclosed
WO-2006117197-A1 ANTITUMORAL TETRAHYDRO-PYRIMIDINES PHARMA MAR, S.A. (ES) 2006-11-09 — — WO disclosed
US-4420619-A Imidazole urea and amido compounds CIBA-GEIGY CORPORATION (US) 1983-12-13 — — US disclosed
US-4292429-A Imidazole urea and amido compounds CIBA-GEIGY CORPORATION (US) 1981-09-29 — — 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 (1 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-20100216817-A1 Antitumoral Tetrahydro-Pyrimidines TYMS, TYMP, MRM1 KDM4E 3436/4885ALDH1A1 1217/4885SMN1; SMN2 448/4885

“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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