SCHEMBL772522

SCHEMBL772522

Cc1cc(OCC(O)CN)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
MEN1 O00255 2/20 0.63
HTT P42858 1/20 0.63
MAPT P10636 3/20 0.57
TP53 P04637 2/20 0.57
MCL1 Q07820 1/20 0.53
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.49
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 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
SCHEMBL768494 0.88 KMT2A (0.78) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL768495 0.88 KMT2A (0.78) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL10699555 0.86 KMT2A (0.75) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL773258 0.85 KMT2A (0.74) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL773195 0.85 KMT2A (0.74) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL10485858 0.83 KMT2A (0.71) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL11336360 0.82 KMT2A (0.69) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL29598938 0.82 KMT2A (0.69) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL772933 0.82 KMT2A (0.69) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL14412442 0.82 KMT2A (0.71) KMT2ASMN1; SMN2MEN1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-06-14 US disclosed
EP-3303338-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES President and Fellows of Harvard College (US) 2018-04-11 EP disclosed
WO-2016191658-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-12-01 WO disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP KMT2A 2169/4885SMN1; SMN2 2866/4885MEN1 1427/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP KMT2A 2169/4885SMN1; SMN2 2866/4885MEN1 1427/4885
US-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES SI, UGGT1, ALPI KMT2A 2738/4885SMN1; SMN2 4557/4885MEN1 3913/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP KMT2A 2169/4885SMN1; SMN2 2866/4885MEN1 1427/4885

“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.