SCHEMBL6086928

SCHEMBL6086928

CCOC(=O)Nc1ccc2cc(OC)ccc2c1I

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MTNR1B P49286 3/20 0.45
HPGD P15428 1/20 0.45
MTNR1A P48039 2/20 0.44
KDR P35968 1/20 0.43
KCNQ2 O43526 1/20 0.42

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
SCHEMBL5752975 0.85 KDM4E (0.46) ALDH1A1MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL6107295 0.78 ALDH1A1 (0.44) ALDH1A1MEN1ALOX15KMT2AHSD17B10
SCHEMBL6087491 0.78 ALDH1A1 (0.44) ALDH1A1MEN1ALOX15KMT2AHSD17B10
SCHEMBL2090279 0.77 CYP1A2 (0.58) ALDH1A1MEN1ALOX15KMT2AHSD17B10
SCHEMBL11780237 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL7557552 0.76 CYP1A2 (0.56) ALDH1A1MEN1ALOX15KMT2AHSD17B10
SCHEMBL4064596 0.76 F10 (0.47) ALDH1A1MEN1KMT2AHSD17B10CYP1A2
SCHEMBL7410024 0.75 CYP1A2 (0.55) ALDH1A1MEN1ALOX15KMT2AHSD17B10
SCHEMBL7254155 0.74 ALDH1A1 (0.54) ALDH1A1MEN1ALOX15KMT2AHSD17B10
SCHEMBL18024095 0.74 ALDH1A1 (0.54) ALDH1A1MEN1ALOX15KMT2AHSD17B10

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-7053108-B2 Indoline compounds LES LABORATOIRES SERVIER (FR) 2006-05-30 US disclosed
US-6998403-B2 Benzoindoline compounds LES LABORATOIRES SERVIER (FR) 2006-02-14 US disclosed
US-20050059675-A1 Antidepressants; N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-1,2-dihydro-3H-benzo[e]indole-3-carboxamide; antagonist of adrenergic receptor, serotonin receptor; anxiety, schizophrenia, Parkinson's disease, cognitive disorders, schizophrenia LES LABORATOIRES SERVIER (FR) 2005-03-17 US disclosed
US-20040192736-A1 New indoline compounds LAVIELLE GILBERT (FR) 2004-09-30 US disclosed
US-6759421-B2 N-(3-PYRIDYL)-1,2-DIHYDRO-3H-BENZO(E)INDOLE-3-CARBOXAMIDE DERIVATIVES USEFUL AS A 5-HT2C ANTAGONIST LES LABORATOIRES SERVIER (FR) 2004-07-06 US disclosed
US-20030199555-A1 Indoline compounds and to pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2003-10-23 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 (3 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-20030199555-A1 Indoline compounds and to pharmaceutical compositions containing them TPH1, IDO1, HTR3A ALDH1A1 977/4885MEN1 1211/4885ALOX15 3108/4885
US-20040192736-A1 New indoline compounds TPH1, HTR3A, HTR1D ALDH1A1 643/4885MEN1 1004/4885ALOX15 4077/4885
US-20050059675-A1 Antidepressants; N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-1,2-dihydro-3H-benzo[e]indole-3-carboxamide; antagonist of adrenergic receptor, serotonin receptor; anxiety, schizophrenia, Parkinson's disease, cognitive disorders, schizophrenia HTR2C, HTR2A, ADRA2C ALDH1A1 755/4885MEN1 4623/4885ALOX15 2039/4885

“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.