SCHEMBL25153641

SCHEMBL25153641

CCn1cc2ccc(Br)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
BACE1 P56817 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
NSD2 O96028 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PABPC1 P11940 1/20 0.33
SYK P43405 1/20 0.33
PTGER4 P35408 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
SCHEMBL1637329 0.86 HDAC8 (0.39) NOTUMBACE1ALDH1A1KDM4ENPC1
SCHEMBL26024454 0.83 TLR8 (0.41) BACE1ALDH1A1KDM4ENPC1HTT
SCHEMBL13607533 0.80 NOTUM (0.44) NOTUMBACE1ALDH1A1KDM4ENPC1
SCHEMBL21026136 0.79 IRAK4 (0.38) BACE1ALDH1A1KDM4EHTTCYP1A2
SCHEMBL28714420 0.79 NOTUM (0.43) NOTUMALDH1A1KDM4ENPC1HTT
SCHEMBL30995456 0.79 NOTUM (0.41) NOTUMALDH1A1KDM4ENPC1CYP1A2
SCHEMBL24701672 0.79 CYP1A2 (0.41) NOTUMALDH1A1KDM4ENPC1HTT
SCHEMBL189024 0.79 KDM4E (0.61) NOTUMALDH1A1KDM4ENPC1HTT
SCHEMBL19279762 0.77 HTR7 (0.38) BACE1ALDH1A1KDM4ENPC1HTT
SCHEMBL23321299 0.77 EPHX2 (0.43) BACE1KDM4EHTTMAPT

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-20250152564-A1 PROPYLENE KETONE-CONTAINING BIOINHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-05-15 US disclosed
CN-118574831-A Biological inhibitor containing acrylketone, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-30 CN disclosed
WO-2023143514-A1 PROPYLENE KETONE-CONTAINING BIOINHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2023-08-03 WO disclosed
US-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME NIHON NOHYAKU CO., LTD. (JP) 2023-04-20 US disclosed
CN-111662232-B Small molecule compound with 2H-indazole structure and synthesis and application thereof 中国科学院上海药物研究所 2022-08-02 CN disclosed
CN-111662232-A Small molecule compound with 2H-indazole structure and synthesis and application thereof 中国科学院上海药物研究所 2020-09-15 CN 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-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME CBR3, XDH, OXA1L NOTUM 464/4885BACE1 546/4885ALDH1A1 1466/4885
US-20250152564-A1 PROPYLENE KETONE-CONTAINING BIOINHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CYP51A1, HSD17B7, CYP46A1 NOTUM 8/4885BACE1 506/4885ALDH1A1 522/4885

“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.