SCHEMBL9940645

SCHEMBL9940645

O=[N+]([O-])c1cc(Cl)ccc1NCCCn1ccnc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
LMNA P02545 2/20 0.54
QPCT Q16769 1/20 0.54
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PKM P14618 1/20 0.52
KMT2A Q03164 2/20 0.52
CYP19A1 P11511 1/20 0.51
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5718416 0.86 CYP19A1 (0.50) MAPTLMNAQPCTALDH1A1KMT2A
SCHEMBL7665095 0.85 CYP19A1 (0.49) MAPTLMNAQPCTALDH1A1KMT2A
SCHEMBL5718326 0.84 QPCT (0.56) MAPTLMNAQPCTALDH1A1KMT2A
SCHEMBL7642996 0.83 QPCT (0.56) LMNAQPCTALDH1A1CYP19A1POLB
SCHEMBL6151779 0.83 CYP19A1 (0.50) MAPTLMNAQPCTALDH1A1KMT2A
SCHEMBL5718214 0.80 ALDH1A1 (0.49) MAPTLMNAQPCTALDH1A1KMT2A
SCHEMBL6151785 0.80 ALDH1A1 (0.64) MAPTLMNAQPCTALDH1A1KMT2A
SCHEMBL5718359 0.80 CYP19A1 (0.56) LMNAQPCTALDH1A1CYP19A1POLB
SCHEMBL5718203 0.80 CYP19A1 (0.47) MAPTLMNAQPCTALDH1A1KMT2A
SCHEMBL9940703 0.80 QPCT (0.57) MAPTLMNAQPCTALDH1A1KMT2A

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 MAPT 3472/4885LMNA 816/4885QPCT 3280/4885

“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.