Sugi Predict

Sugi Predict / Compounds / SCHEMBL412642

SCHEMBL412642

SCHEMBL412642

Cc1cccc(NC(C)c2ccccc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KCNH3 Q9ULD8 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ GAA P10253 3/20 0.40
▸ KCNK3 O14649 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ SOS1 Q07889 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16308854 0.83 TDP1 (0.52) KCNH3CYP3A4BRD4GAASOS1
SCHEMBL28813966 0.83 KMT2A (0.51) NPSR1KCNH3MAPTHTTCYP1A2
SCHEMBL11520815 0.79 NPSR1 (0.55) NPSR1KCNH3MAPTHTTCYP1A2
SCHEMBL410971 0.78 SGMS2 (0.43) NPSR1KCNH3MAPTHTTCYP1A2
SCHEMBL7588102 0.77 LMNA (0.48) NPSR1CYP3A4GAAMEN1KMT2A
SCHEMBL410966 0.75 HSD17B10 (0.44) NPSR1MAPTCYP1A2GAAKCNK3
SCHEMBL31174454 0.75 TDP1 (0.56) NPSR1KCNH3MAPTHTTCYP1A2
SCHEMBL632551 0.75 TDP1 (0.56) NPSR1KCNH3MAPTHTTCYP1A2
SCHEMBL10996019 0.72 MAPT (0.50) NPSR1KCNH3MAPTHTTCYP1A2
SCHEMBL1004460 0.72 MAPT (0.50) NPSR1KCNH3MAPTHTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518990-B2 Cancer treatment ONCOPHOR, LLC (US) 2013-08-27 — — US disclosed
US-8518990-B2 Cancer treatment ONCOPHOR, LLC (US) 2013-08-27 — — US disclosed
US-8329756-B2 Drug for treatment of colon cancer ONCOPHOR, LLC (US) 2012-12-11 — — US disclosed
US-8329756-B2 Drug for treatment of colon cancer ONCOPHOR, LLC (US) 2012-12-11 — — US disclosed
US-8329756-B2 Drug for treatment of colon cancer ONCOPHOR, LLC (US) 2012-12-11 — — US disclosed
US-20120065208-A1 CANCER TREATMENT Electronic Patent Assignments System (EPAS) 2012-03-15 — — US disclosed
US-20120065208-A1 CANCER TREATMENT Electronic Patent Assignments System (EPAS) 2012-03-15 — — US disclosed
US-20110257270-A1 DRUG FOR TREATMENT OF COLON CANCER ONCOPHOR, LLC 2011-10-20 — — US disclosed
US-20110257270-A1 DRUG FOR TREATMENT OF COLON CANCER ONCOPHOR, LLC 2011-10-20 — — US disclosed
US-20110257270-A1 DRUG FOR TREATMENT OF COLON CANCER ONCOPHOR, LLC 2011-10-20 — — 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 (2 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-20110257270-A1 DRUG FOR TREATMENT OF COLON CANCER SLC10A2, APC, KRAS NPSR1 2419/4885KCNH3 4377/4885MAPT 4053/4885
US-20120065208-A1 CANCER TREATMENT BRCA1, VHL, MGMT NPSR1 2609/4885KCNH3 2146/4885MAPT 2160/4885

“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.