SCHEMBL9731856

SCHEMBL9731856

COc1ccc(C(=O)NC(N)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.69
▸ CA1 P00915 4/20 0.67
▸ CA2 P00918 4/20 0.67
▸ NPC1 O15118 5/20 0.65
▸ RAB9A P51151 5/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ TP53 P04637 3/20 0.65
▸ ALOX15 P16050 2/20 0.65
▸ PARP10 Q53GL7 2/20 0.62
▸ PARP1 P09874 1/20 0.62
▸ PARP2 Q9UGN5 1/20 0.62
▸ PARP4 Q9UKK3 1/20 0.62
▸ F10 P00742 2/20 0.61
▸ CRHBP P24387 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59

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
SCHEMBL8717056 0.88 PLK1 (0.80) PLK1CA1CA2NPC1RAB9A
SCHEMBL12858639 0.85 CRHBP (0.66) PLK1CA1CA2NPC1RAB9A
SCHEMBL27521416 0.82 PLK1 (0.71) PLK1CA1CA2NPC1RAB9A
SCHEMBL6996017 0.82 PLK1 (0.71) PLK1CA1CA2NPC1RAB9A
SCHEMBL7915810 0.82 PLK1 (0.71) PLK1CA1CA2NPC1RAB9A
SCHEMBL837307 0.82 PLK1 (1.00) PLK1CA1CA2NPC1RAB9A
SCHEMBL15328092 0.81 GAA (0.54) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL28690251 0.81 NPC1 (0.71) PLK1CA1CA2NPC1RAB9A
SCHEMBL407188 0.80 CA1 (1.00) PLK1CA1CA2NPC1RAB9A
Hydrochloric Acid SCHEMBL11037223 0.80 PLK1 (0.96) PLK1CA1CA2NPC1RAB9A

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
EP-2838531-B1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ANNJI PHARM CO LTD (CN) 2016-09-21 — — EP claimed
US-8946282-B2 Indolin-2-one derivatives as protein kinase inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2015-02-03 — — US claimed
CN-104302287-A Indolin-2-one derivatives as protein kinase inhibitors ANNJI PHARM CO LTD 2015-01-21 — — CN claimed
US-20130281451-A1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS Annji Pharmaceutical Co., Ltd. (TW) 2013-10-24 — — US claimed
CN-113041221-B ROS (reactive oxygen species) sensitivity and H2Preparation method and application of S donor response type nano micelle 潍坊中医药产业技术研究院 2022-11-01 — — CN disclosed
EP-2838531-B1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ANNJI PHARM CO LTD (CN) 2016-09-21 — — EP disclosed
US-8946282-B2 Indolin-2-one derivatives as protein kinase inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2015-02-03 — — US disclosed
CN-104302287-A Indolin-2-one derivatives as protein kinase inhibitors ANNJI PHARM CO LTD 2015-01-21 — — CN disclosed
US-20130281451-A1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS Annji Pharmaceutical Co., Ltd. (TW) 2013-10-24 — — US disclosed
US-5106843-A Treatment of migraine, emesis, anxiety, gastrointestinal disorders, psychological disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 — — US disclosed
EP-0323077-B1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-09-11 — — EP disclosed
US-4983600-A Antiemetics, antianxiety agents, gastrointestinal disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-01-08 — — US disclosed
EP-0323077-A1 Heterocyclic compounds JOHN WYETH & BROTHER LIMITED (GB) 1989-07-05 — — 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 (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-20130281451-A1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ING2, CDK2, MAP3K20 PLK1 34/4885CA1 4827/4885CA2 3600/4885

“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.

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