SCHEMBL22130330

SCHEMBL22130330

Nc1ccc(-c2ncc(C(F)(F)F)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ MAPT P10636 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ TP53 P04637 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ KIF11 P52732 3/20 0.57
▸ PTGS1 P23219 4/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HTT P42858 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL9951531 0.84 KIF11 (0.57) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL31375513 0.80 HDAC4 (0.43) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL12280797 0.78 RAB9A (0.77) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL4474362 0.78 KMT2A (0.53) KMT2AKDM4EMAPTSMN1; SMN2PTGS1
SCHEMBL22042741 0.78 RAB9A (0.64) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12193849 0.77 RAB9A (0.68) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL19742855 0.76 RAB9A (1.00) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL12498522 0.76 HDAC4 (0.43) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL4469861 0.76 RXRA (0.59) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL31375522 0.76 HDAC4 (0.41) ALDH1A1NPC1RAB9AKMT2AKDM4E

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 6 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
WO-2025087383-A1 COMPOUND ACTING AS PARP7 INHIBITOR 深圳众格生物科技有限公司 2025-05-01 — — WO disclosed
CN-113727972-B Novel hydrazone derivatives having terminal amine groups substituted with aryl or heteroaryl groups and use thereof 韩国科学技术研究院 2024-12-27 — — CN 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
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
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 — — 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 (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 ALDH1A1 1008/4885NPC1 1264/4885RAB9A 1131/4885
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 ALDH1A1 402/4885NPC1 3755/4885RAB9A 2732/4885

“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.

Send feedback