Sugi Predict

Sugi Predict / Compounds / SCHEMBL9948309

SCHEMBL9948309

SCHEMBL9948309

COC(=O)c1nn(C)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ LMNA P02545 4/20 0.49
▸ HPGD P15428 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ ALPL P05186 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL19256696 0.88 NPC1 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL17375095 0.81 NPC1 (0.64) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL31336757 0.81 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL2210341 0.79 CNR2 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL985062 0.79 KMT2A (0.59) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4443917 0.79 CNR2 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL31711004 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL1357926 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL15277592 0.78 CNR2 (0.46) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL20780914 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092047-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMA (US) 2026-04-02 — — US disclosed
US-20260070924-A1 INDAZOLE MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS INC (US) 2026-03-12 — — US disclosed
US-20260028316-A1 Biphenyl and Phenylpyridine Compounds PFIZER INC. (US) 2026-01-29 — — US disclosed
US-12384762-B2 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 — — US disclosed
US-20250188030-A1 Biphenyl and Phenylpyridine Compounds PFIZER INC. (US) 2025-06-12 — — US disclosed
WO-2025096751-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. (US) 2025-05-08 — — WO disclosed
EP-4536225-A1 INDAZOLE MACROCYCLES AND THEIR USE Blossomhill Therapeutics, Inc. (US) 2025-04-16 — — EP disclosed
US-12258354-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2025-03-25 — — US disclosed
CN-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 — — CN disclosed
CN-119325379-A Indazole macrocyclic compounds and uses thereof 荣山医药股份有限公司 2025-01-17 — — CN disclosed
US-9475816-B2 Substituted-1,4-dihydropyrazolo[4,3-b]indoles TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 — — US disclosed
US-20160002177-A1 COMT INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — US disclosed
EP-2938600-A1 COMT INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-11-04 — — EP disclosed
US-20150225405-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 — — US disclosed
WO-2014102233-A1 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-03 — — WO disclosed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 — — US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 — — US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 — — 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 (9 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-20160002177-A1 COMT INHIBITORS COMT, PNMT, SLC6A3 SMN1; SMN2 865/4885ALDH1A1 92/4885NPC1 2621/4885
US-20250188030-A1 Biphenyl and Phenylpyridine Compounds CYP1B1, CYP1A1, PAH SMN1; SMN2 1451/4885ALDH1A1 39/4885NPC1 388/4885
US-20260070924-A1 INDAZOLE MACROCYCLES AND THEIR USE NR0B2, NR0B1, ESRRA SMN1; SMN2 1266/4885ALDH1A1 1008/4885NPC1 387/4885
US-12258354-B2 AhR modulators AHR, ARNT, RORB SMN1; SMN2 4221/4885ALDH1A1 579/4885NPC1 2918/4885
US-12384762-B2 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator CFTR, SLC26A4, TMEM109 SMN1; SMN2 4546/4885ALDH1A1 1328/4885NPC1 91/4885
US-20260092047-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A3, SLC26A4 SMN1; SMN2 4297/4885ALDH1A1 2326/4885NPC1 157/4885
US-20260028316-A1 Biphenyl and Phenylpyridine Compounds KAT2B, KAT2A, KAT6A SMN1; SMN2 2222/4885ALDH1A1 1348/4885NPC1 2011/4885
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 SMN1; SMN2 2847/4885ALDH1A1 44/4885NPC1 383/4885
US-20150225405-A1 SUBSTITUTED-1,4-DIHYDROPYRAZOLO[4,3-b]INDOLES GPR119, RPLP2, FOXM1 SMN1; SMN2 1529/4885ALDH1A1 433/4885NPC1 822/4885

“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.