SCHEMBL1000179

SCHEMBL1000179

Brc1ccc(-c2ncccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
CLK4 Q9HAZ1 1/20 0.52
ADRB2 P07550 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
AHR P35869 2/20 0.46
NR1H4 Q96RI1 1/20 0.45
ATM Q13315 1/20 0.45
CYP2A6 P11509 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL28135259 0.97 NPC1 (0.63) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6685962 0.86 CLK4 (0.64) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
Bromobenzene SCHEMBL28286547 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16625771 0.83 CLK4 (0.61) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL27655232 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL27641903 0.81 RAB9A (0.61) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16222829 0.79 NPC1 (0.65) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28135372 0.78 BIRC5 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6048308 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6362896 0.77 MEN1 (0.82) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108148055-A A kind of D- π-A types organic fluorescence materials and preparation method based on naphthalene 陕西师范大学 2018-06-12 CN claimed
EP-3814355-B1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS LTD (CN) 2025-12-24 EP disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
CN-117890340-A Application of 9, 10-dihydroacridine derivative in gas-phase detection of ice toxin or ice toxin mimic N-methamphetamine 吉林大学 2024-04-16 CN disclosed
EP-3790867-B1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC (US) 2024-03-27 EP disclosed
US-11932629-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2024-03-19 US disclosed
CN-112513020-B KDM1A inhibitors for the treatment of diseases 伊美格生物科学公司 2024-02-23 CN disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-5627184-A BACTERICIDES OF PYRIMIDINE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-05-06 US disclosed
US-5606058-A HAVING REDUCED SIDE EFFECTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-25 US disclosed
WO-1996040114-A1 METHODS OF INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA AND COMPOUNDS USEFUL THEREFOR THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO disclosed
WO-1996040117-A1 METHODS OF TREATING MICROBIAL INFECTIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO disclosed
EP-0725067-A1 Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-07 EP disclosed
US-5521189-A PYRIMIDINE COMPOUNDS AS ANTIPROTOZOA AGENTS THE UNIVERSITY OF NC AT CH (US) 1996-05-28 US disclosed
US-4533505-A REACTION OF ETHYLENE IWITH ACID HALIDES IN THE PRESENCE OF A BASE AND A PALLADIUM CATALYST CIBA-GEIGY CORPORATION (US) 1985-08-06 US disclosed
EP-0062005-B1 PROCESS FOR THE MANUFACTURE OF STYRENE AND/OR STILBENE DERIVATIVES CIBA-GEIGY AG (CH) 1985-06-26 EP disclosed
US-4335055-A Process for the preparation of alkenylbenzene derivatives or alkenylnaphthalene derivatives CIBA-GEIGY CORPORATION (US) 1982-06-15 US disclosed
EP-0041043-A1 Process for the preparation of derivatives of alkenyl benzene or alkenyl naphthalene CIBA-GEIGY AG (CH) 1981-12-02 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 (3 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-11932629-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A NPC1 4463/4885RAB9A 3444/4885SMN1; SMN2 835/4885
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 NPC1 1520/4885RAB9A 2869/4885SMN1; SMN2 4178/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 NPC1 4533/4885RAB9A 893/4885SMN1; SMN2 4155/4885

“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.