SCHEMBL4424946

SCHEMBL4424946

Nc1ccc2c(ccn2C(=O)c2ccccc2)c1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
DYRK1A Q13627 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALOX5 P09917 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
SCHEMBL28720956 0.72 L3MBTL1 (0.55) RAB9ATSHRL3MBTL1KDM4EKMT2A
SCHEMBL2400349 0.72 KMT2A (0.41) RAB9ATSHRL3MBTL1KDM4EKMT2A
SCHEMBL22182815 0.71 BUB1 (0.40) L3MBTL1KMT2ABCHEMEN1HTR6
SCHEMBL28721669 0.71 L3MBTL1 (0.58) RAB9ATSHRL3MBTL1KDM4EKMT2A
SCHEMBL2768807 0.70 RAB9A (0.66) RAB9ATSHRL3MBTL1KDM4EKMT2A
SCHEMBL8685355 0.69 L3MBTL1 (0.55) RAB9ATSHRL3MBTL1KDM4EKMT2A
SCHEMBL10267835 0.69 TSHR (0.55) RAB9ATSHRL3MBTL1KDM4EKMT2A
SCHEMBL31668328 0.69 L3MBTL1 (0.55) RAB9ATSHRL3MBTL1KDM4EKMT2A
SCHEMBL1247821 0.68 TSHR (0.54) RAB9ATSHRL3MBTL1KDM4EKMT2A
SCHEMBL31435512 0.67 RAB9A (1.00) RAB9ATSHRL3MBTL1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626026-B2 Pyrrolo-indole and pyrrolo-quinoline derivatives as prodrugs for tumour treatment UNIVERSITY OF BRADFORD (GB) 2009-12-01 US disclosed
US-7626026-B2 Pyrrolo-indole and pyrrolo-quinoline derivatives as prodrugs for tumour treatment UNIVERSITY OF BRADFORD (GB) 2009-12-01 US disclosed
EP-1409480-B1 PYRROLO-INDOLE AND PYRROLO-QUINOLINE DERIVATIVES AS PRODRUGS FOR TUMOUR TREATMENT UNIV LONDON PHARMACY (GB) 2007-11-14 EP disclosed
US-20040157873-A1 Pyrrolo-indole and pyrrolo-quinoline derivatives as prodrugs for tumour treatment INCANTHERA LIMITED (GB) 2004-08-12 US disclosed
EP-1409480-A1 PYRROLO-INDOLE AND PYRROLO-QUINOLINE DERIVATIVES AS PRODRUGS FOR TUMOUR TREATMENT THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2004-04-21 EP disclosed
WO-2002068412-A1 PYRROLO-INDOLE AND PYRROLO-QUINOLINE DERIVATIVES AS PRODRUGS FOR TUMOUR TREATMENT SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2002-09-06 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-20040157873-A1 Pyrrolo-indole and pyrrolo-quinoline derivatives as prodrugs for tumour treatment CYP1B1, TOP1, CYP1A1 RAB9A 1819/4885TSHR 4126/4885L3MBTL1 2292/4885

“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.