Sugi Predict

Sugi Predict / Compounds / SCHEMBL23926487

SCHEMBL23926487

SCHEMBL23926487

CC1(C)OB(c2ccc(Cl)c([N+](=O)[O-])c2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.47
▸ LPL P06858 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL30955191 1.00 VCAM1 (0.47) VCAM1LPLLIPGALDH1A1LMNA
SCHEMBL28453522 0.88 TSHR (0.49) LPLLIPGALDH1A1LMNAMAPT
SCHEMBL29398685 0.83 MAPT (0.45) LPLLIPGALDH1A1MAPTHPGD
SCHEMBL4550135 0.83 ALDH1A1 (0.47) LPLLIPGALDH1A1LMNAMAPT
SCHEMBL3678053 0.83 MAPT (0.45) LPLLIPGALDH1A1MAPTHPGD
SCHEMBL190588 0.83 TDP1 (0.54) LPLLIPGALDH1A1LMNAMAPT
SCHEMBL2489484 0.82 ALDH1A1 (0.56) VCAM1LPLLIPGALDH1A1LMNA
SCHEMBL14158127 0.82 ALDH1A1 (0.56) LPLLIPGALDH1A1LMNAMAPT
SCHEMBL4771663 0.79 ALDH1A1 (0.45) ALDH1A1LMNAMAPTTDP1
SCHEMBL1237710 0.79 ALDH1A1 (0.41) LPLLIPGALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 — — US disclosed
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 — — US disclosed
CN-113727972-A Novel hydrazone derivatives in which terminal amino group is substituted with aryl or heteroaryl group, and use thereof 韩国科学技术研究院 2021-11-30 — — CN disclosed
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 — — 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 (2 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-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof ABL1, TH, CYP3A43 VCAM1 4601/4885LPL 4355/4885LIPG 4527/4885
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF AANAT, NAT1, HNMT VCAM1 4530/4885LPL 4828/4885LIPG 4339/4885

“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.