SCHEMBL4513714

SCHEMBL4513714

c1cn(-c2ccc(CN3CCNCC3)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.56
▸ HRH3 Q9Y5N1 2/20 0.53
▸ CXCR4 P61073 8/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ CCR2 P41597 1/20 0.50
▸ CXCL12 P48061 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NOTUM Q6P988 1/20 0.50
▸ MCHR1 Q99705 1/20 0.49
▸ JAK2 O60674 1/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46

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
SCHEMBL17916879 0.85 HRH3 (0.68) LSSHRH3NOTUMMCHR1LMNA
SCHEMBL28085822 0.82 CYP3A4 (0.62) LSSHRH3NOTUMMCHR1JAK2
SCHEMBL6888308 0.80 LSS (0.46) LSSHRH3NOTUMMCHR1LMNA
SCHEMBL3933934 0.80 ADRB2 (0.59) SIGMAR1MEN1KMT2ANOTUMLMNA
Hydrochloric Acid SCHEMBL6891086 0.79 LSS (0.45) LSSHRH3NOTUMMCHR1JAK2
SCHEMBL24093308 0.77 MCHR1 (0.53) LSSHRH3NOTUMMCHR1JAK2
SCHEMBL31606050 0.77 CRBN (0.40) LSSHRH3CXCR4MCHR1JAK2
SCHEMBL27573609 0.76 LSS (0.45) LSSHRH3NOTUMMCHR1
SCHEMBL209327 0.76 HPGD (0.70) LSSHRH3CXCR4SIGMAR1MEN1
SCHEMBL1259387 0.75 CXCR4 (0.81) HRH3CXCR4SIGMAR1MEN1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111450887-A Zinc complex synthesis and application of zinc complex as photodegradation catalyst 盐城师范学院 2020-07-28 — — CN claimed
CN-111450887-A Zinc complex synthesis and application of zinc complex as photodegradation catalyst 盐城师范学院 2020-07-28 — — CN disclosed
CN-111450887-A Zinc complex synthesis and application of zinc complex as photodegradation catalyst 盐城师范学院 2020-07-28 — — CN disclosed
US-20090275753-A1 ORTHO-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG NIPPON SODA CO., LTD. (JP) 2009-11-05 — — US disclosed
US-20090275753-A1 ORTHO-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG NIPPON SODA CO., LTD. (JP) 2009-11-05 — — US disclosed
CN-101300243-A O-substituted aniline derivative and antioxidant drug NIPPON SODA CO (JP) 2008-11-05 — — CN disclosed
EP-1944024-A1 O-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG NIPPON SODA CO., LTD. (JP) 2008-07-16 — — 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 (1 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-20090275753-A1 ORTHO-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG NFE2L2, OXSR1, AOX1 LSS 1905/4885HRH3 725/4885CXCR4 2185/4885

“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.

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