SCHEMBL2450985

SCHEMBL2450985

N#CCc1cccc2cc(C(=O)O)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
KMT2A Q03164 1/20 0.53
APEX1 P27695 1/20 0.51
DAO P14920 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 1/20 0.46
SRD5A2 P31213 1/20 0.46
FLT3 P36888 1/20 0.44
EIF4A3 P38919 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NSD2 O96028 1/20 0.39
LMNA P02545 1/20 0.38
SMAD3 P84022 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
F7 P08709 1/20 0.36

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
SCHEMBL4048274 0.83 FLT3 (0.60) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL6521765 0.81 HSD17B10 (0.55) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL6185791 0.81 HSD17B10 (0.55) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL2455047 0.81 KDM4E (0.53) HSD17B10HPGDALDH1A1MEN1KMT2A
SCHEMBL2453368 0.79 F7 (0.44) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL17136028 0.79 HSD17B10 (0.64) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL6512132 0.78 HSD17B10 (0.55) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL6529714 0.78 HPGD (0.51) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL29291199 0.77 HSD17B10 (0.50) HSD17B10HPGDALDH1A1MEN1USP2
SCHEMBL9816343 0.75 HPGD (0.49) HSD17B10HPGDALDH1A1MEN1USP2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076360-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-13 US disclosed
US-8076360-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-13 US disclosed
US-8076360-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-13 US disclosed
EP-2102186-B1 INDOLES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
EP-2102186-B1 INDOLES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
US-8026259-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2011-09-27 US disclosed
US-8026259-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2011-09-27 US disclosed
US-8026259-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2011-09-27 US disclosed
CN-101547914-A Indoles compound HOFFMANN LA ROCHE (CH) 2009-09-30 CN disclosed
EP-2102186-A1 INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2009-09-23 EP disclosed
US-20080139550-A1 INDOLES HOFFMANN-LA ROCHE INC. 2008-06-12 US disclosed
US-20080139550-A1 INDOLES HOFFMANN-LA ROCHE INC. 2008-06-12 US disclosed
US-20080139550-A1 INDOLES HOFFMANN-LA ROCHE INC. 2008-06-12 US disclosed
US-20080139549-A1 INDOLES HOFFMANN-LA ROCHE INC. 2008-06-12 US disclosed
US-20080139549-A1 INDOLES HOFFMANN-LA ROCHE INC. 2008-06-12 US disclosed
WO-2008068183-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
WO-2008068183-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
US-20080139549-A1 INDOLES HOFFMANN-LA ROCHE INC. 2008-06-12 US disclosed
US-20080139552-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139552-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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-20080139550-A1 INDOLES HTR1A, AVPR1A, HTR4 HSD17B10 3882/4885HPGD 1907/4885ALDH1A1 510/4885
US-20080139552-A1 INDOLES HTR1A, AVPR1A, HTR4 HSD17B10 3881/4885HPGD 1990/4885ALDH1A1 532/4885
US-20080139549-A1 INDOLES HTR1A, AVPR1A, HTR4 HSD17B10 3881/4885HPGD 1990/4885ALDH1A1 532/4885

“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.