SCHEMBL537589

SCHEMBL537589

CCc1cccc2nc(/C=C/c3cc(N)ccc3Cl)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.41
▸ NPC1 O15118 10/20 0.41
▸ POLB P06746 3/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41
▸ SENP6 Q9GZR1 2/20 0.41
▸ KDM4E B2RXH2 7/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ MAPT P10636 7/20 0.39
▸ LMNA P02545 6/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ GAA P10253 5/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ HPGD P15428 4/20 0.39
▸ HTT P42858 3/20 0.39
▸ ALPL P05186 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ PKM P14618 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
SCHEMBL18631865 0.86 RAB9A (0.41) RAB9ANPC1POLBCASP3SENP7
SCHEMBL537590 0.82 MAPT (0.39) RAB9ANPC1POLBCASP3SENP7
SCHEMBL17609266 0.77 NPC1 (0.65) RAB9ANPC1POLBCASP3SENP7
SCHEMBL17609264 0.70 MAPT (0.40) RAB9ANPC1POLBCASP3SENP7
SCHEMBL6116948 0.70 RAB9A (0.40) RAB9ANPC1POLBCASP3SENP7
SCHEMBL14365376 0.68 MEN1 (0.44) RAB9AKDM4EALDH1A1LMNAGAA
SCHEMBL18554501 0.65 RAB9A (0.45) RAB9ANPC1POLBCASP3SENP7
SCHEMBL18554502 0.65 RAB9A (0.45) RAB9ANPC1POLBCASP3SENP7
SCHEMBL282088 0.64 CYP3A4 (0.52) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL2900206 0.64 DDAH1 (0.55) ALDH1A1LMNASMN1; SMN2GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091014-A1 FLUORESCENT CELLULAR MARKERS Zayas, Beatriz (US) 2016-11-09 — — EP disclosed
US-8124770-B2 Fluorescent cellular markers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-28 — — US disclosed
EP-2414355-A2 FLUORESCENT CELLULAR MARKERS Zayas, Beatriz (US) 2012-02-08 — — EP disclosed
WO-2010135751-A2 FLUORESCENT CELLULAR MARKERS BEATRIZ ZAYAS BEATRIZ (US) 2010-11-25 — — WO disclosed
US-20100256378-A1 FLUORESCENT CELLULAR MARKERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 — — 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-20100256378-A1 FLUORESCENT CELLULAR MARKERS AIFM1, CASP3, BAX RAB9A 862/4885NPC1 1894/4885POLB 1321/4885

“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.

Send feedback