Sugi Predict

Sugi Predict / Compounds / SCHEMBL3299785

SCHEMBL3299785

SCHEMBL3299785

Cc1c([N+](=O)[O-])ccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ KLK3 P07288 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ BCHE P06276 1/20 0.35

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
SCHEMBL14107939 0.79 P2RX7 (0.33) PARP1
SCHEMBL28516117 0.79 TDP1 (0.48) TDP1ALDH1A1TSHRMAPK1MEN1
SCHEMBL28576429 0.79 ALDH1A1 (0.44) TDP1ALDH1A1TSHRCYP3A4MAPT
SCHEMBL31432445 0.79 ALDH1A1 (0.44) TDP1ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL2984882 0.79 ALDH1A1 (0.44) TDP1ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL19251836 0.75 TSHR (0.50) TDP1ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL31431566 0.75 ALDH1A1 (0.41) TDP1ALDH1A1MAPTNPC1BCHE
SCHEMBL20274088 0.75 ALDH1A1 (0.41) TDP1ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL28549 0.74 ALDH1A1 (0.64) TDP1ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL29471420 0.74 ALDH1A1 (0.64) TDP1ALDH1A1TSHRSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025245484-A1 FOXN1 ACTIVATORS THYMOFOX INC. (US) 2025-11-27 — — WO disclosed
WO-2024140595-A1 TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 珂阑(上海)医药科技有限公司 2024-07-04 — — WO disclosed
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 — — CN disclosed
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 — — US disclosed
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2019-05-16 — — US disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 — — EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 — — EP disclosed
CN-104870422-B Amine derivative or its salt 富士胶片富山化学株式会社 2019-03-15 — — CN disclosed
EP-3428160-A1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2019-01-16 — — EP disclosed
US-20180282304-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-10-04 — — US disclosed
US-5948804-A ANAESTHETIC PREMEDICATION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-09-07 — — US disclosed
EP-0900080-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-03-10 — — EP disclosed
US-5677321-A ANESTHETIC PREMEDICATION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-10-14 — — US disclosed
WO-1997031636-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-09-04 — — WO disclosed
US-5618816-A Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridnyl and pyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 — — US disclosed
CN-1138042-A Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines BRISTOL MYERS SQUIBB CO (US) 1996-12-18 — — CN disclosed
EP-0729958-A2 Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinyl-piperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1996-09-04 — — EP disclosed
US-5521188-A Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1996-05-28 — — US disclosed
CN-1112561-A Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines BRISTOL MYERS SQUIBB CO (US) 1995-11-29 — — CN disclosed
EP-0645385-A1 Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines Bristol-Myers Squibb Company (US) 1995-03-29 — — 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 (3 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-20180282304-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA TDP1 4769/4885ALDH1A1 576/4885TSHR 1220/4885
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA TDP1 4769/4885ALDH1A1 576/4885TSHR 1220/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA TDP1 4769/4885ALDH1A1 576/4885TSHR 1220/4885

“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.