Sugi Predict

Sugi Predict / Compounds / SCHEMBL544644

SCHEMBL544644

SCHEMBL544644

CNC(=O)c1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.68
▸ MEN1 O00255 5/20 0.63
▸ KMT2A Q03164 5/20 0.63
▸ SMN1; SMN2 Q16637 5/20 0.63
▸ NPC1 O15118 3/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ POLB P06746 1/20 0.63
▸ CTDSP1 Q9GZU7 1/20 0.63
▸ ALDH1A1 P00352 7/20 0.60
▸ CES2 O00748 1/20 0.60
▸ CES1 P23141 1/20 0.60
▸ LMNA P02545 3/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ MAPT P10636 5/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57

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
SCHEMBL28780205 0.89 TSHR (0.71) TSHRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL385099 0.87 TSHR (0.68) TSHRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL22734863 0.86 CASP6 (0.62) TSHRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL31387585 0.85 TSHR (0.66) TSHRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13495683 0.85 TSHR (0.66) TSHRMEN1KMT2ASMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL27660564 0.83 TSHR (0.96) TSHRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1028124 0.83 TSHR (0.62) TSHRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10231311 0.83 HSP90AA1 (0.62) TSHRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL17303445 0.82 TSHR (0.77) TSHRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11602108 0.82 MAPT (0.52) TSHRMEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-10-02 — — US disclosed
EP-2636667-A1 BENZAMIDE DERIVATIVE WITH ANTICANCER ACTIVITY AND PREPARATION METHOD AND USE THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2013-09-11 — — EP disclosed
US-8110688-B2 Method for producing indole derivative having piperidine ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-07 — — US disclosed
US-8110688-B2 Method for producing indole derivative having piperidine ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-07 — — US disclosed
EP-1880995-B1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MAN CO LTD (JP) 2011-12-21 — — EP disclosed
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 — — US disclosed
CN-101171249-B Process for preparing indole derivatives having piperidine ring EISAI R&D MAN CO LTD 2010-11-10 — — CN disclosed
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 — — US disclosed
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 — — US disclosed
US-7572795-B2 Pyrrolotriazine aniline prodrug compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 — — US disclosed
US-20090156555-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-06-18 — — US disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 — — US disclosed
CN-101171249-A Process for preparing indole derivatives having piperidine ring EISAI R&D MAN CO LTD (JP) 2008-04-30 — — CN disclosed
EP-1880995-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING Eisai R&D Management Co., Ltd. (JP) 2008-01-23 — — EP disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 — — US disclosed
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 — — 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 (5 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-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB TSHR 4316/4885MEN1 4030/4885KMT2A 4079/4885
US-20090156555-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 TSHR 612/4885MEN1 2048/4885KMT2A 611/4885
US-20070219179-A1 Indole Derivative Having Piperidine Ring HTR5A, HTR2C, HTR1A TSHR 365/4885MEN1 3896/4885KMT2A 1734/4885
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 TSHR 697/4885MEN1 1975/4885KMT2A 608/4885
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING IDO2, IDO1, TPH2 TSHR 3263/4885MEN1 3261/4885KMT2A 147/4885

“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.