Sugi Predict

Sugi Predict / Compounds / SCHEMBL894981

SCHEMBL894981

SCHEMBL894981

O=Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ HSP90AA1 P07900 1/20 0.52
▸ PARP10 Q53GL7 1/20 0.49
▸ PARP3 Q9Y6F1 1/20 0.49
▸ KMO O15229 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ ADAMTS5 Q9UNA0 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP2A6 P11509 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ ALDH1A3 P47895 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HAO1 Q9UJM8 1/20 0.41
▸ VCAM1 P19320 1/20 0.41
▸ STS P08842 1/20 0.40

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
SCHEMBL31287758 1.00 ALDH1A1 (0.61) ALDH1A1HSP90AA1PARP10PARP3KMO
SCHEMBL8549986 0.85 ALDH1A1 (0.47) ALDH1A1HSP90AA1PARP10PARP3KDM4E
SCHEMBL14661923 0.84 POLB (0.50) ALDH1A1PARP10PARP3KDM4ELMNA
SCHEMBL413263 0.84 ADAMTS5 (0.56) ALDH1A1HSP90AA1KMOADAMTS5LMNA
SCHEMBL3927881 0.84 ALDH1A1 (0.46) ALDH1A1PARP10PARP3KDM4ELMNA
SCHEMBL9107585 0.84 KMT2A (0.47) ALDH1A1PARP10PARP3KDM4ELMNA
SCHEMBL14656250 0.84 SOS1 (0.58) ALDH1A1PARP10PARP3KDM4ELMNA
SCHEMBL5050902 0.81 PARP10 (0.65) ALDH1A1PARP10PARP3KDM4ELMNA
SCHEMBL1663469 0.81 PARP10 (0.65) ALDH1A1PARP10PARP3KDM4ELMNA
SCHEMBL21820786 0.81 HSP90AA1 (0.71) HSP90AA1KMOMEN1KMT2AHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38425-E1 ANTICONVULSANTS ADMINISTERED ORALLLY UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES, INC. (CA) 2004-02-10 — — US claimed
US-5741818-A ANTICONVULSANTS UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-21 — — US claimed
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 — — US disclosed
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 — — EP disclosed
CN-104876955-B Arginase inhibitor and its treatment use 马尔斯公司 2018-11-23 — — CN disclosed
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2018-09-06 — — US disclosed
US-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 — — US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 — — US disclosed
US-9423395-B2 Fluorescent cell cycle probe having M-phase specificity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 — — US disclosed
US-9423395-B2 Fluorescent cell cycle probe having M-phase specificity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 — — US disclosed
CN-103068830-B Arginase inhibitors and therapeutic uses thereof 马尔斯公司 2016-06-29 — — CN disclosed
EP-1435947-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-14 — — EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 — — EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 — — US disclosed
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHOMCNEIL PHARMACEUTICAL, INC. 2003-09-18 — — US disclosed
WO-2003032984-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDSI/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-04-24 — — WO disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 — — WO disclosed
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 — — US disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 — — WO disclosed
EP-0447164-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-18 — — EP 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-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 ALDH1A1 1326/4885HSP90AA1 4453/4885PARP10 2145/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 ALDH1A1 1326/4885HSP90AA1 4453/4885PARP10 2145/4885
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 ALDH1A1 2761/4885HSP90AA1 2482/4885PARP10 356/4885
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, TMBIM6, CDS2 ALDH1A1 1805/4885HSP90AA1 555/4885PARP10 3236/4885

“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.