Sugi Predict

Sugi Predict / Compounds / SCHEMBL546369

SCHEMBL546369

SCHEMBL546369

Nc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.83
▸ MAPT P10636 5/20 0.83
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ TP53 P04637 1/20 0.74
▸ EPHX1 P07099 1/20 0.74
▸ TSHR P16473 1/20 0.74
▸ EPHX2 P34913 1/20 0.74
▸ CDK9 P50750 1/20 0.74
▸ CLK4 Q9HAZ1 1/20 0.74
▸ CASP3 P42574 1/20 0.69
▸ SENP7 Q9BQF6 1/20 0.69
▸ MAOA P21397 2/20 0.67
▸ MAOB P27338 2/20 0.67
▸ KMT2A Q03164 3/20 0.64
▸ TAAR1 Q96RJ0 3/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ SIRT1 Q96EB6 1/20 0.62
▸ CA12 O43570 3/20 0.61
▸ CA1 P00915 3/20 0.61

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
SCHEMBL8772924 0.91 RAB9A (1.00) RAB9AMAPTSMN1; SMN2TP53EPHX1
SCHEMBL4690088 0.89 RAB9A (0.66) RAB9AMAPTSMN1; SMN2TP53EPHX1
SCHEMBL11059378 0.89 SMN1; SMN2 (0.94) RAB9AMAPTSMN1; SMN2TP53EPHX1
Diphenylurea SCHEMBL133103 0.86 SMN1; SMN2 (1.00) RAB9AMAPTSMN1; SMN2TP53EPHX1
Diphenylurea SCHEMBL3037927 0.84 SMN1; SMN2 (0.94) RAB9AMAPTSMN1; SMN2TP53EPHX1
Diphenylurea SCHEMBL29392345 0.84 SMN1; SMN2 (0.94) RAB9AMAPTSMN1; SMN2TP53EPHX1
Diphenylurea SCHEMBL30786615 0.84 SMN1; SMN2 (0.94) RAB9AMAPTSMN1; SMN2TP53EPHX1
Diphenylurea SCHEMBL28431956 0.84 SMN1; SMN2 (0.94) RAB9AMAPTSMN1; SMN2TP53EPHX1
SCHEMBL7883674 0.83 MAPT (0.76) RAB9AMAPTSMN1; SMN2TP53EPHX1
SCHEMBL12010916 0.82 CASP3 (1.00) RAB9AMAPTSMN1; SMN2TP53EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794408-B Pyrimidine phenylurea anti-tumor compound and preparation method and application thereof 中国医科大学 2020-04-21 — — CN claimed
CN-108794408-A Pyrimidine phenylurea anti-tumor compounds and its preparation method and application 中国医科大学 2018-11-13 — — CN claimed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 — — US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 — — US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 — — US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 — — US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 — — EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 — — US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 — — US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 — — EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 — — WO claimed
CN-117402357-A Negative photosensitive polyimide precursor resin, preparation method and application thereof, negative photosensitive resin composition and application thereof 深圳市道尔顿电子材料股份有限公司 2024-01-16 — — CN disclosed
CN-108794408-B Pyrimidine phenylurea anti-tumor compound and preparation method and application thereof 中国医科大学 2020-04-21 — — CN disclosed
EP-3524656-A1 NOVEL HYDROGELATOR National University Corporation Shizuoka University (JP) 2019-08-14 — — EP disclosed
US-20190241598-A1 NOVEL HYDROGELATOR NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2019-08-08 — — US disclosed
US-20010018441-A1 Benzene derivatives and Pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2001-08-30 — — US disclosed
EP-1113000-A1 BENZENE DERIVATIVES AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2001-07-04 — — EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 — — EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 — — WO disclosed
US-4220586-A FASTNESS TO LIGHT, OVER-LACQUERING, MIGRATION, WEATHERING, AND HEAT CIBA-GEIGY CORPORATION (US) 1980-09-02 — — 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-20190241598-A1 NOVEL HYDROGELATOR AGL, GCK, CCNL2 RAB9A 3030/4885MAPT 4373/4885SMN1; SMN2 3357/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885MAPT 2771/4885SMN1; SMN2 3410/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885MAPT 2771/4885SMN1; SMN2 3410/4885
US-20010018441-A1 Benzene derivatives and Pharmaceutical use thereof NFKBIA, VCAM1, NFKB1 RAB9A 3828/4885MAPT 2829/4885SMN1; SMN2 4491/4885

“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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