Sugi Predict

Sugi Predict / Compounds / SCHEMBL96823

SCHEMBL96823

SCHEMBL96823

O=Cc1ccc(F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ERN1 O75460 4/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAOA P21397 2/20 0.37

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
SCHEMBL31171177 1.00 TDP1 (0.61) TDP1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL16419731 0.83 TDP1 (0.42) TDP1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL1853771 0.82 TDP1 (0.45) TDP1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL18345474 0.79 HTR2A (0.40) TDP1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL18345476 0.79 HTR2A (0.40) TDP1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6142827 0.79 TDP1 (0.48) TDP1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL29957006 0.78 ERN1 (0.46) TDP1ALDH1A1LMNAKDM4EPTPN1
SCHEMBL4363014 0.78 ERN1 (0.46) TDP1ALDH1A1LMNAKDM4EPTPN1
SCHEMBL5422596 0.77 MAOA (0.37) TDP1SMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL9996753 0.77 MAOA (0.40) TDP1SMN1; SMN2NPC1CYP1A2CYP3A4

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 1488 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079917-A Substituted isoxazoline carboxylic acid methyl ester compound and preparation method and application thereof — 2026-05-26 — — CN claimed
US-20260022096-A1 NOVEL SULFONAMIDES AND THEIR USE AS NEUROPROTECTIVE AND/OR NEURORESTORATIVE AGENTS GENECODE (EE) 2026-01-22 — — US claimed
CN-118496215-A Polyhydroxylated onium derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-08-16 — — CN claimed
CN-118239836-A Safe and environment-friendly o-p-fluorobenzoyl chloride synthesis process and system 江苏万隆化学有限公司 2024-06-25 — — CN claimed
CN-114349656-B Preparation method of hydrazide compound 赣南师范大学 2024-03-29 — — CN claimed
CN-117624148-A Polyhydroxy sulfonium salt derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-03-01 — — CN claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 — — US claimed
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 — — US claimed
CN-111848406-B Preparation method of 2-chloro-4-fluoro-5-nitrobenzaldehyde 沈阳中化农药化工研发有限公司 2022-03-29 — — CN claimed
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2021-06-10 — — US claimed
CN-103086910-A Preparation method of optically active amide DHC CO LTD 2013-05-08 — — CN claimed
CN-101395136-A New pyridin-3-amine derivatives ALMIRALL LAB (ES) 2009-03-25 — — CN claimed
EP-1670314-A4 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS SEQUELLA INC (US) 2009-02-25 — — EP claimed
EP-1670314-A2 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS Sequella, Inc. (US) 2006-06-21 — — EP claimed
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 — — US claimed
US-20050113574-A1 Methods and compositions comprising diamines as new anti-tubercular therapeutics SEQUELLA, INC. 2005-05-26 — — US claimed
WO-2005034857-A2 METHODS AND COMPOSITIONS COMPRISING DIAMINES AS NEW ANTI-TUBERCULAR THERAPEUTICS SEQUELLA, INC. (US) 2005-04-21 — — WO claimed
CN-1183134-C Tricyclic vasopressin agonists — 2005-01-05 — — CN claimed
US-5897940-A Ink jet transparencies XEROX CORPORATION (US) 1999-04-27 — — US claimed
US-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 — — US claimed

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-20050113574-A1 Methods and compositions comprising diamines as new anti-tubercular therapeutics C5, DDC, SAT1 TDP1 716/4885ALDH1A1 1171/4885SMN1; SMN2 1839/4885
US-20260022096-A1 NOVEL SULFONAMIDES AND THEIR USE AS NEUROPROTECTIVE AND/OR NEURORESTORATIVE AGENTS CNR1, CDR2, SMN1; SMN2 TDP1 2804/4885ALDH1A1 1383/4885SMN1; SMN2 3/4885
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 TDP1 3097/4885ALDH1A1 4853/4885SMN1; SMN2 4834/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 TDP1 3049/4885ALDH1A1 4851/4885SMN1; SMN2 4834/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 TDP1 3049/4885ALDH1A1 4851/4885SMN1; SMN2 4834/4885

“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.