SCHEMBL20945467

SCHEMBL20945467

O=[N+]([O-])c1cccnc1NCCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 2/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP2C9 P11712 1/20 0.52
DPP4 P27487 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6527214 0.93 MAPT (0.58) MAPTPOLBPKMCYP1A2CYP2D6
SCHEMBL11717638 0.87 LMNA (0.61) MAPTPKMCYP1A2CYP2D6CYP2C19
SCHEMBL492422 0.84 DPP4 (0.57) MAPTPKMCYP1A2CYP2D6CYP2C19
SCHEMBL12128777 0.84 DPP4 (0.57) MAPTPKMCYP1A2CYP2D6CYP2C19
SCHEMBL6264719 0.81 MAPT (0.86) MAPTPOLBPKMCYP1A2CYP2D6
SCHEMBL7972316 0.81 MAPT (0.72) MAPTPOLBPKMCYP1A2CYP2D6
SCHEMBL45665 0.81 MAPT (0.56) MAPTPOLBPKMCYP1A2CYP2D6
SCHEMBL31565218 0.79 MAPT (0.73) MAPTPOLBPKMCYP1A2CYP2D6
SCHEMBL20966396 0.79 TSHR (0.53) MAPTPOLBCYP2D6CYP2C19LMNA
SCHEMBL42215 0.78 KDM4E (0.54) MAPTPOLBPKMCYP2C19LMNA

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 MAPT 4054/4885POLB 3209/4885PKM 3695/4885
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents CDC42, ARHGEF2, HRAS MAPT 3790/4885POLB 3076/4885PKM 3165/4885
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS CDC42, ARHGEF2, HRAS MAPT 3896/4885POLB 3330/4885PKM 3794/4885
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents CDC42, ARHGEF2, GDI2 MAPT 3908/4885POLB 2855/4885PKM 3424/4885

“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.