SCHEMBL22130293

SCHEMBL22130293

Nc1ccc(-c2ncc(Br)cn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
NPC1 O15118 6/20 0.68
KMT2A Q03164 6/20 0.68
ALDH1A1 P00352 5/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
MEN1 O00255 5/20 0.68
MAPT P10636 5/20 0.68
KDM4E B2RXH2 3/20 0.68
HPGD P15428 3/20 0.68
HSD17B10 Q99714 3/20 0.68
TP53 P04637 2/20 0.68
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
METAP2 P50579 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL16222829 0.83 NPC1 (0.65) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12280797 0.83 RAB9A (0.77) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19742855 0.81 RAB9A (1.00) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12193288 0.77 RAB9A (0.68) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22130253 0.77 RAB9A (0.68) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7466728 0.77 NPC1 (0.48) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1772821 0.77 RAB9A (0.48) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12193849 0.77 RAB9A (0.68) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27807821 0.77 ADRB2 (0.62) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1877775 0.76 NPC1 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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 5 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
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 RAB9A 1131/4885NPC1 1264/4885KMT2A 1604/4885
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 RAB9A 2732/4885NPC1 3755/4885KMT2A 342/4885

“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.