SCHEMBL468970

SCHEMBL468970

Cc1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.74
MAOA P21397 5/20 0.74
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
LMNA P02545 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
EGFR P00533 8/20 0.64
PIK3CA P42336 8/20 0.64
TP53 P04637 1/20 0.62
POLB P06746 1/20 0.62
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
KMT2A Q03164 1/20 0.60
IDO1 P14902 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL7533561 0.86 NPC1 (0.74) MAOBMAOANPC1RAB9ALMNA
SCHEMBL18595541 0.86 NPC1 (0.61) MAOBMAOANPC1RAB9ALMNA
SCHEMBL29429724 0.85 MAOB (1.00) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL5818325 0.85 NPC1 (0.75) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL19476163 0.83 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL28082015 0.82 MAOA (0.59) MAOBMAOANPC1RAB9ALMNA
SCHEMBL12764054 0.81 EGFR (0.74) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL13564494 0.81 NPC1 (0.62) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL27337170 0.81 NPC1 (0.73) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL17206335 0.81 NPC1 (0.69) NPC1RAB9ALMNASMN1; SMN2EGFR

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
US-10287291-B2 Seco-cyclopropapyrroloindole compounds, antibody-drug conjugates thereof, and methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-14 US disclosed
US-20180051031-A1 SECO-CYCLOPROPAPYRROLOINDOLE COMPOUNDS, ANTIBODY-DRUG CONJUGATES THEREOF, AND METHODS OF MAKING AND USE THE SCRIPPS RESEARCH INSTITUTE 2018-02-22 US disclosed
US-9586974-B2 Cyclic N-acyl O-amino phenol CBI derivative THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 US disclosed
US-20160016972-A1 Cyclic N-Acyl O-Amino Phenol CBI Derivative NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-21 US disclosed
WO-2014160586-A1 CYCLIC N-ACYL O-AMINO PHENOL CBI DERIVATIVE THE SCRIPPS RESEARCH LINSTITUTE (US) 2014-10-02 WO disclosed
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VLAHOV IONTCHO R (US) 2012-03-15 US disclosed
WO-2009064913-A1 CHIMER CONTAINING A TARGETING PORTION LINKED TO A SCISSION-ACTIVATED DUOCARMYCIN-TYPE PRODRUG THE SCRIPPS RESEARCH INSTITUTE (US) 2009-05-22 WO disclosed
US-7235578-B2 Processes for preparing 3-substituted 1-(chloromethyl)-1,2-dihydro-3H-[ring fused indol-5-yl-(amine-derived)] compounds and analogues thereof, and to products obtained therefrom AUCKLAND UNISERVICES LIMITED (NZ) 2007-06-26 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 (4 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-20120065149-A1 Vitamin receptor binding drug delivery conjugates VDR, CYP2R1, CYP24A1 MAOB 2836/4885MAOA 3752/4885NPC1 1188/4885
US-20160016972-A1 Cyclic N-Acyl O-Amino Phenol CBI Derivative CCNI, DBI, SUB1 MAOB 129/4885MAOA 195/4885NPC1 2376/4885
US-20180051031-A1 SECO-CYCLOPROPAPYRROLOINDOLE COMPOUNDS, ANTIBODY-DRUG CONJUGATES THEREOF, AND METHODS OF MAKING AND USE CD22, GDI2, GDI1 MAOB 1677/4885MAOA 1601/4885NPC1 2298/4885
US-10287291-B2 Seco-cyclopropapyrroloindole compounds, antibody-drug conjugates thereof, and methods of making and use CD22, GDI2, GDI1 MAOB 1677/4885MAOA 1601/4885NPC1 2298/4885

“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.