SCHEMBL20945437

SCHEMBL20945437

CCn1c2ccccc2c2cc(-c3cnc(NCCC4CCCN4C)nc3N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 2/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ RAC1 P63000 1/20 0.41
▸ NMT1 P30419 2/20 0.41
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ PTGER4 P35408 6/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ NPY5R Q15761 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL20945465 0.82 PTGER4 (0.47) PTGER4NPY5RKDM4EMEN1ALDH1A1
SCHEMBL15064102 0.80 RAC1 (0.64) ACP1RAD52RAC1PTGER4NPC1
SCHEMBL20945435 0.78 SYK (0.41) PTGER4NPY5RKDM4EMEN1ALDH1A1
SCHEMBL29920699 0.78 RAC1 (0.65) ACP1ADRA2ARAD52RAC1NMT1
SCHEMBL20966319 0.78 RAC1 (0.65) ACP1ADRA2ARAD52RAC1NMT1
SCHEMBL20945431 0.70 PDE10A (0.41) PTGER4RAB9ANPY5RKDM4EMEN1
SCHEMBL22634316 0.68 ADRA2A (0.44) ADRA2ARAD52RAC1PTGER4NPY5R
SCHEMBL5655636 0.68 DHFR (0.46) ACP1
SCHEMBL19461970 0.67 EHMT2 (0.48) ACP1NMT1
SCHEMBL3975338 0.65 ACP1 (0.56) ACP1NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2022-09-20 — — US disclosed
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2020-08-04 — — US disclosed
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS UNIVERSITY OF PUERTO RICO (PR) 2019-05-02 — — US 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-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents CDC42, ARHGEF2, HRAS ACP1 2133/4885ADRA2A 1694/4885RAD52 4080/4885
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS CDC42, ARHGEF2, HRAS ACP1 1981/4885ADRA2A 1358/4885RAD52 4004/4885
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents CDC42, ARHGEF2, GDI2 ACP1 2307/4885ADRA2A 1530/4885RAD52 4193/4885

“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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