Sugi Predict

Sugi Predict / Compounds / SCHEMBL876143

SCHEMBL876143

SCHEMBL876143

O=CCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HPGD P15428 1/20 0.53
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL10675147 0.89 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTLMNA
SCHEMBL10523075 0.87 ALDH1A1 (0.53) ALDH1A1TSHRHPGDHTTLMNA
SCHEMBL27172755 0.84 GPR35 (0.56) ALDH1A1TSHRHPGDHTTSMN1; SMN2
SCHEMBL7859170 0.84 ALDH1A1 (0.42) ALDH1A1TSHRHPGDHTTLMNA
SCHEMBL3202573 0.83 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL3125891 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHPGDHTTLMNA
SCHEMBL2373020 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHPGDHTTSMN1; SMN2
SCHEMBL6158453 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHPGDHTTLMNA
SCHEMBL415792 0.82 ALDH1A1 (0.60) ALDH1A1TSHRHPGDHTTLMNA
SCHEMBL29951221 0.82 ALDH1A1 (0.60) ALDH1A1TSHRHPGDHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163038-B2 Process for synthesis of chiral 3-substituted tetrahydroquinoline derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-20 — — US claimed
US-20150038714-A1 Process for Synthesis of Chiral 3-Substituted Tetrahydroquinoline Derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-05 — — US claimed
WO-2013140419-A1 A PROCESS FOR SYNTHESIS OF CHIRAL 3-SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-09-26 — — WO claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 — — US disclosed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 — — CN disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 — — CN disclosed
US-11975110-B2 Cationic polymers TRANSLATE BIO, INC. (US) 2024-05-07 — — US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 — — EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 — — EP disclosed
US-20210113483-A1 Cationic Polymers TRANSLATE BIO, INC. 2021-04-22 — — US disclosed
EP-3746496-A1 CATIONIC POLYMERS Translate Bio, Inc. (US) 2020-12-09 — — EP disclosed
EP-0956016-A4 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS UNIV FLORIDA STATE (US) 2001-11-14 — — EP disclosed
US-6255495-B1 KILLING HYPOXIC TUMOR CELLS AND TREATING DERMATOLOGICAL DISEASES IN WARM-BLOODED ANIMALS VIA ADMINISTERING RADIOSENSITIZING AMOUNT OF ELECTRON-AFFINIC-DIAMINE FLORIDA STATE UNIVERSITY 2001-07-03 — — US disclosed
US-6060604-A FOR RADIOTHERAPY TECHNIQUES, INCREASING TUMOR RADIOSENSITIVITY FLORIDA STATE UNIVERSITY (US) 2000-05-09 — — US disclosed
US-6057453-A OXIDATION, FORMING RADIOSENSITIZING DIAMINES, REDUCTION FLORIDA STATE UNIVERSITY (US) 2000-05-02 — — US disclosed
EP-0956016-A1 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS Florida State University (US) 1999-11-17 — — EP disclosed
CN-1232395-A Pharmaceutical compounds containing polyamines substituted with electron affinity groups UNIV FLORIDA STATE (US) 1999-10-20 — — CN disclosed
CN-1224426-A 3-descladinose-2, 3-anhydroerythromycin derivatives ABBOTT LAB (US) 1999-07-28 — — CN disclosed
WO-1998014190-A9 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS — 1998-07-30 — — WO disclosed
WO-1998014190-A1 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS FLORIDA STATE UNIVERSITY (US) 1998-04-09 — — WO 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-20210113483-A1 Cationic Polymers NSUN3, RNMT, POLRMT ALDH1A1 3420/4885TSHR 3769/4885HPGD 3663/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 ALDH1A1 69/4885TSHR 2507/4885HPGD 219/4885
US-11975110-B2 Cationic polymers NSUN3, RNMT, POLRMT ALDH1A1 3420/4885TSHR 3769/4885HPGD 3663/4885
US-20150038714-A1 Process for Synthesis of Chiral 3-Substituted Tetrahydroquinoline Derivatives TH, DHPS, QDPR ALDH1A1 39/4885TSHR 4006/4885HPGD 181/4885

“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.