SCHEMBL1721699

SCHEMBL1721699

CC(=O)c1cc(F)c(F)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KEAP1 Q14145 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HDAC1 Q13547 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
HTT P42858 1/20 0.33
MAOB P27338 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL31726717 1.00 TSHR (0.40) TSHRALDH1A1MAPTSMN1; SMN2KEAP1
SCHEMBL29467702 0.85 MEN1 (0.39) TSHRALDH1A1MAPTSMN1; SMN2KEAP1
SCHEMBL15214026 0.85 MEN1 (0.39) TSHRALDH1A1MAPTSMN1; SMN2KEAP1
SCHEMBL8282300 0.84 TSHR (0.39) TSHRALDH1A1MAPTSMN1; SMN2KEAP1
SCHEMBL15067720 0.84 TSHR (0.36) TSHRALDH1A1MAPTSMN1; SMN2KEAP1
SCHEMBL30451431 0.84 TSHR (0.36) TSHRALDH1A1MAPTSMN1; SMN2KEAP1
SCHEMBL29876292 0.84 DGAT1 (0.35) TSHRSMN1; SMN2KEAP1BRD4KDM4E
SCHEMBL21513677 0.84 DGAT1 (0.35) TSHRSMN1; SMN2KEAP1BRD4KDM4E
SCHEMBL21232254 0.84 FADS1 (0.42) TSHRALDH1A1MAPTSMN1; SMN2KEAP1
SCHEMBL4165532 0.81 KDM4E (0.51) ALDH1A1POLBKDM4EHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235686-A1 FLUOROCAMPTOTHECIN COMPOUNDS, CONJUGATES, AND METHODS THEREOF Aarvik Therapeutics, Inc. (US) 2025-11-13 WO disclosed
EP-4380928-B1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC (US) 2025-10-01 EP disclosed
US-20250122169-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. 2025-04-17 US disclosed
EP-4380928-A1 PPARG INVERSE AGONISTS AND USES THEREOF Flare Therapeutics Inc. (US) 2024-06-12 EP disclosed
US-20230293535-A1 ERBB/BTK INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-09-21 US disclosed
WO-2023014861-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. (US) 2023-02-09 WO disclosed
WO-2023278816-A1 HETEROCYCLIC ALDEHYDE TRAPPING COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
US-11007198-B2 ErbB/BTK inhibitors DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2021-05-18 US disclosed
US-20200316079-A1 ERBB/BTK INHIBITORS DIZAL (SHANGHAI) PHARMACEUTICAL CO., LTD. (CN) 2020-10-08 US disclosed
WO-2019149164-A1 ERBB/BTK INHIBITORS DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2019-08-08 WO disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
WO-2013045607-A1 QUINAZOLINE LINKED HETEROAROMATIC TRICYCLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-04 WO disclosed
WO-2013045607-A1 QUINAZOLINE LINKED HETEROAROMATIC TRICYCLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-04 WO disclosed
US-8399673-B2 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-03-19 US disclosed
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators DRUNENTHAL GMBH (DE) 2012-10-04 US disclosed
EP-2406229-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
WO-2010102811-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO disclosed
US-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 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 (7 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-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNJ2 TSHR 3819/4885ALDH1A1 3187/4885MAPT 4434/4885
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNJ2 TSHR 3819/4885ALDH1A1 3187/4885MAPT 4434/4885
US-11007198-B2 ErbB/BTK inhibitors ERBB2, BTK, ERBB3 TSHR 847/4885ALDH1A1 4856/4885MAPT 3607/4885
US-20250122169-A1 PPARG INVERSE AGONISTS AND USES THEREOF PPARG, PPARA, PPARD TSHR 199/4885ALDH1A1 1249/4885MAPT 4603/4885
US-20200316079-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 TSHR 847/4885ALDH1A1 4856/4885MAPT 3607/4885
US-20230293535-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 TSHR 847/4885ALDH1A1 4856/4885MAPT 3607/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 TSHR 1343/4885ALDH1A1 2036/4885MAPT 4456/4885

“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.