SCHEMBL9979854

SCHEMBL9979854

OCc1nc2cc(Cl)ccc2n1CCCCF

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.54
NUDT1 P36639 1/20 0.54
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 3/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
TBXA2R P21731 1/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9979855 0.88 BACE1 (0.49) BACE1NUDT1KMT2ASMN1; SMN2TP53
SCHEMBL23100606 0.86 MAPT (0.53) BACE1NUDT1KMT2ASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL15301119 0.86 BACE1 (0.48) BACE1NUDT1KMT2ASMN1; SMN2TP53
SCHEMBL15908544 0.85 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2RAB9ATP53NPC1
SCHEMBL6242299 0.83 POLB (0.44) BACE1NUDT1KMT2ASMN1; SMN2RAB9A
SCHEMBL15649662 0.82 BACE1 (0.52) BACE1NUDT1KMT2ASMN1; SMN2RAB9A
SCHEMBL7746045 0.80 SMN1; SMN2 (0.64) KMT2ASMN1; SMN2RAB9ATP53NPC1
SCHEMBL15650536 0.80 BACE1 (0.53) BACE1NUDT1KMT2ASMN1; SMN2RAB9A
SCHEMBL23100636 0.80 BACE1 (0.63) BACE1NUDT1KMT2ASMN1; SMN2TP53
SCHEMBL9940787 0.78 NUDT1 (0.48) BACE1NUDT1SMN1; SMN2

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 8 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
US-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-18 US disclosed
US-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-18 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 BACE1 858/4885NUDT1 180/4885KMT2A 890/4885
US-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, SARS1 BACE1 2500/4885NUDT1 760/4885KMT2A 2396/4885

“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.