SCHEMBL13314218

SCHEMBL13314218

O=c1[nH]cc(-c2ccc(Cl)nc2)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ P4HTM Q9NXG6 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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 SCHEMBL3562807 0.98 ALDH1A1 (0.51) ALDH1A1MAPK1LMNAPIK3CDGAA
SCHEMBL13314184 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1LMNAGAANPC1
Hydrochloric Acid SCHEMBL3561023 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1LMNAGAANPC1
SCHEMBL29809206 0.78 ALDH1A1 (0.67) ALDH1A1LMNAGAANPC1RAB9A
SCHEMBL30884522 0.77 ALDH1A1 (0.52) ALDH1A1MAPK1LMNACYP2A6
SCHEMBL24300828 0.72 HTT (0.50) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL16653142 0.72 ALDH1A1 (0.64) ALDH1A1MAPK1LMNAKDM4ECYP2A6
SCHEMBL16653102 0.70 ALDH1A1 (0.67) ALDH1A1LMNAGAARAB9AKDM4E
SCHEMBL16652924 0.70 ALDH1A1 (0.67) ALDH1A1LMNAGAARAB9A
SCHEMBL5801644 0.70 ALDH1A1 (0.64) ALDH1A1LMNAGAA

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-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 — — EP disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 — — US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 — — US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 — — US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 — — US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 — — 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 (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-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 ALDH1A1 87/4885MAPK1 580/4885LMNA 3803/4885

“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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