SCHEMBL20945439

SCHEMBL20945439

COc1cc(OC)c(OC#N)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.48
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 2/20 0.36

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
SCHEMBL3999176 1.00 GAA (0.48) GAANPC1ALDH1A1MAPTNPSR1
SCHEMBL27952777 0.82 GAA (0.65) GAANPC1ALDH1A1MAPTNPSR1
SCHEMBL30487990 0.82 GAA (0.65) GAANPC1ALDH1A1MAPTNPSR1
Chloroneb SCHEMBL22739 0.78 GAA (0.64) GAANPC1ALDH1A1MAPTNPSR1
SCHEMBL16609990 0.75 GAA (0.68) GAANPC1ALDH1A1MAPTNPSR1
SCHEMBL9348273 0.74 SLC6A4 (0.48) ALDH1A1KDM4EMEN1KMT2ATP53
SCHEMBL2473900 0.73 GAA (0.45) GAANPC1ALDH1A1MAPTNPSR1
SCHEMBL3757554 0.73 NPC1 (0.65) GAANPC1ALDH1A1MAPTNPSR1
SCHEMBL7722871 0.72 MAPK1 (0.42) MAPK1
SCHEMBL5572861 0.72 GAA (0.50) GAANPC1ALDH1A1MAPTNPSR1

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 8 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-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2022-09-20 — — US disclosed
US-20200352941-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS UNIV PUERTO RICO (US) 2020-11-12 — — US disclosed
US-20200352941-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS UNIV PUERTO RICO (US) 2020-11-12 — — 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-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
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 (4 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-20200352941-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS CDC42, ARHGEF2, ARHGDIB GAA 4600/4885NPC1 3630/4885ALDH1A1 3580/4885
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents CDC42, ARHGEF2, HRAS GAA 4629/4885NPC1 3130/4885ALDH1A1 3604/4885
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS CDC42, ARHGEF2, HRAS GAA 4644/4885NPC1 3774/4885ALDH1A1 4023/4885
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents CDC42, ARHGEF2, GDI2 GAA 4628/4885NPC1 3575/4885ALDH1A1 3636/4885

“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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