SCHEMBL9940787

SCHEMBL9940787

OCc1nc2cc(Cl)ccc2n1CCCn1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.48
BACE1 P56817 1/20 0.48
HDAC1 Q13547 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AOC2 O75106 1/20 0.47
QPCT Q16769 1/20 0.45
PRKCI P41743 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
SCHEMBL9979854 0.78 BACE1 (0.54) NUDT1BACE1SMN1; SMN2
SCHEMBL15649662 0.76 BACE1 (0.52) NUDT1BACE1SMN1; SMN2
SCHEMBL9940774 0.74 CYP3A4 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15650536 0.74 BACE1 (0.53) NUDT1BACE1SMN1; SMN2
SCHEMBL9940949 0.72 ALDH1A1 (0.45) AOC2QPCT
SCHEMBL10657808 0.71 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23100636 0.71 BACE1 (0.63) NUDT1BACE1HDAC1SMN1; SMN2
SCHEMBL11201306 0.71 BACE1 (0.67) NUDT1BACE1HDAC1SMN1; SMN2
SCHEMBL3988029 0.70 KMT2A (0.55) NUDT1BACE1CYP1A2CYP3A4CYP2D6
SCHEMBL10653098 0.68 TSHR (0.72) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651903-B1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-23 EP disclosed
EP-2651903-B1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-23 EP disclosed
US-8865705-B2 Benzimidazole respiratory syncytial virus inhibitors JANSSEN R&D IRELAND (IE) 2014-10-21 US disclosed
US-8865705-B2 Benzimidazole respiratory syncytial virus inhibitors JANSSEN R&D IRELAND (IE) 2014-10-21 US disclosed
US-8865705-B2 Benzimidazole respiratory syncytial virus inhibitors JANSSEN R&D IRELAND (IE) 2014-10-21 US disclosed
EP-2651903-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS Janssen R&D Ireland (IE) 2013-10-23 EP disclosed
US-20130267508-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
US-20130267508-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
US-20130267508-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
WO-2012080446-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN R&D IRELAND (IE) 2012-06-21 WO disclosed
WO-2012080446-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN R&D IRELAND (IE) 2012-06-21 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-20130267508-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS SBDS, CHUK, HAT1 NUDT1 180/4885BACE1 858/4885HDAC1 295/4885

“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.