SCHEMBL16691884

SCHEMBL16691884

Cn1cc(-c2ccccc2)cc1C(=O)Nc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ ALDH1A1 P00352 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ KDM1A O60341 1/20 0.52
▸ RCOR1 Q9UKL0 1/20 0.52
▸ MCL1 Q07820 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ GSK3A P49840 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL16691871 0.87 KDM1A (0.51) NPC1GAARAB9ALMNAALDH1A1
SCHEMBL16693550 0.83 NAMPT (0.64) NAMPTNPC1RAB9ALMNAALDH1A1
SCHEMBL16691856 0.81 RAB9A (0.62) NAMPTNPC1RAB9ALMNAALDH1A1
SCHEMBL27296169 0.79 POLB (0.49) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL16693586 0.77 P2RY12 (0.44) NPC1GAARAB9ALMNAALDH1A1
SCHEMBL20527216 0.76 P2RY12 (0.46) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL21451882 0.76 PTPN1 (0.46) NPC1RAB9ASMN1; SMN2KDM1ARCOR1
SCHEMBL31022619 0.76 NAMPT (0.66) NAMPTNPC1RAB9ALMNAALDH1A1
Hydrochloric Acid SCHEMBL20527158 0.75 PTPN1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM1A
SCHEMBL31454214 0.74 NR4A2 (0.59) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321774-B2 Pyrrolobenzodiazepines MEDIMMUNE LIMITED (GB) 2016-04-26 — — US disclosed
US-9321774-B2 Pyrrolobenzodiazepines MEDIMMUNE LIMITED (GB) 2016-04-26 — — US disclosed
US-20150126495-A1 PYRROLOBENZODIAZEPINES MEDIMMUNE LIMITED (GB) 2015-05-07 — — US disclosed
US-20150126495-A1 PYRROLOBENZODIAZEPINES MEDIMMUNE LIMITED (GB) 2015-05-07 — — 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-20150126495-A1 PYRROLOBENZODIAZEPINES CHRM1, CHRM2, CHRM3 NAMPT 4373/4885NPC1 1047/4885GAA 4706/4885

“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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