Sugi Predict

Sugi Predict / Compounds / SCHEMBL4433792

SCHEMBL4433792

SCHEMBL4433792

NC(=O)c1ccc2c(c1)N=CCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ HTR1A P08908 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ CHEK2 O96017 4/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ CDC7 O00311 1/20 0.34

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
Hydrochloric Acid SCHEMBL29118231 0.97 TSHR (0.50) TSHRHTR1AHTR1DHTR2CNPC1
SCHEMBL29950379 0.89 TSHR (0.51) TSHRHTR1AHTR1DHTR2CNPC1
SCHEMBL8369280 0.87 ALDH1A1 (0.50) TSHRNPC1RAB9AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL28791571 0.85 ALDH1A1 (0.49) TSHRNPC1RAB9AALDH1A1MAPK1
SCHEMBL29426140 0.78 CA12 (0.47) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29518299 0.78 CA12 (0.47) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5166376 0.75 SYK (0.45) NPC1RAB9AALDH1A1MAPK1SYK
SCHEMBL9995935 0.74 NNMT (0.38) TSHRSMN1; SMN2CHEK2CHEK1MKNK1
SCHEMBL6918958 0.73 ALDH1A1 (0.50) TSHRNPC1RAB9AALDH1A1MAPK1
SCHEMBL7937313 0.72 MAPT (0.43) HTR1AHTR2CNPC1RAB9ASMN1; SMN2

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-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 — — WO claimed
EP-2121626-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2009-11-25 — — EP claimed
WO-2008075196-A1 BENZIMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-06-26 — — WO claimed
WO-2025262003-A1 DIHYDRO BENZOXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-12-26 — — WO disclosed
WO-2024226824-A2 METHODS OF TREATING CANCER WITH INHIBITORS OF FN14 THE INTERNATIONAL GENOMICS CONSORTIUM (US) 2024-10-31 — — WO disclosed
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 — — US disclosed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 — — US disclosed
WO-2022063205-A1 ARYL FORMAMIDE COMPOUND, PREPARATION METHOD FOR SAME, AND MEDICINAL USES THEREOF 中国医药研究开发中心有限公司 2022-03-31 — — WO disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 — — US disclosed
WO-2021031071-A1 AMIDE DERIVATIVE AND USE THEREOF IN MEDICINE 广东东阳光药业有限公司 2021-02-25 — — WO disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 — — US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 — — US disclosed
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-06 — — US disclosed
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2018-12-13 — — US disclosed
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 — — US disclosed
US-9868749-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-01-16 — — US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 — — US disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 — — WO disclosed
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity EVOTEC (UK) LTD. (GB) 2016-10-13 — — 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 (10 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 TSHR 2168/4885HTR1A 1304/4885HTR1D 756/4885
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 TSHR 2168/4885HTR1A 1304/4885HTR1D 756/4885
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 TSHR 2168/4885HTR1A 1304/4885HTR1D 756/4885
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 TSHR 2168/4885HTR1A 1304/4885HTR1D 756/4885
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 TSHR 2168/4885HTR1A 1304/4885HTR1D 756/4885
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 TSHR 2168/4885HTR1A 1304/4885HTR1D 756/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 TSHR 2151/4885HTR1A 2427/4885HTR1D 1863/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 TSHR 2168/4885HTR1A 1304/4885HTR1D 756/4885
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 TSHR 753/4885HTR1A 1699/4885HTR1D 1240/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 TSHR 4510/4885HTR1A 3804/4885HTR1D 2466/4885

“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.