SCHEMBL10013617

SCHEMBL10013617

N=C(c1ccc2ccccc2c1)c1ccccc1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 1.00
CYP2D6 P10635 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 3/20 0.52
TSHR P16473 2/20 0.52
PLAU P00749 3/20 0.45
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45
PRSS1 P07477 1/20 0.45
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
CAPN1 P07384 1/20 0.43
GPR55 Q9Y2T6 1/20 0.40
ACHE P22303 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40

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
SCHEMBL7535150 0.74 CYP1A2 (0.58) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4
SCHEMBL15478714 0.73 PLAU (0.61) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4
SCHEMBL23783818 0.72 CYP1A2 (0.56) CYP2C19CYP2D6CYP2C9CYP1A2PLAU
SCHEMBL16670764 0.70 TSHR (0.63) CYP2C19CYP2D6CYP2C9CYP1A2TSHR
SCHEMBL2703372 0.70 CYP1A2 (0.53) CYP2C19CYP2D6CYP2C9CYP1A2TSHR
SCHEMBL11262697 0.70 CYP2D6 (0.53) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4
SCHEMBL29338499 0.70 CYP1A2 (0.53) CYP2C19CYP2D6CYP2C9CYP1A2TSHR
SCHEMBL27874722 0.69 TSHR (0.60) CYP2C19CYP2D6CYP2C9CYP1A2TSHR
Hydrochloric Acid SCHEMBL28584054 0.68 CYP2D6 (0.51) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4
SCHEMBL6695693 0.68 TSHR (0.55) CYP2C19CYP2D6CYP2C9CYP1A2CYP3A4

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
US-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-10-27 US disclosed
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 US disclosed
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 US disclosed
US-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS REGENTS OF THE UNIVERSITY OF MINNESOTA 2012-06-07 US disclosed
US-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS REGENTS OF THE UNIVERSITY OF MINNESOTA 2012-06-07 US disclosed
US-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS MED. COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2009-06-18 US disclosed
US-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS MED. COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2009-06-18 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-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus SIRT1, SIRT2, SIRT7 CYP2C19 4835/4885CYP2D6 4848/4885CYP2C9 4863/4885
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus SIRT1, SIRT2, SIRT7 CYP2C19 4835/4885CYP2D6 4848/4885CYP2C9 4863/4885
US-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS IDO2, IDO1, INMT CYP2C19 1198/4885CYP2D6 294/4885CYP2C9 871/4885
US-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS IDO2, IDO1, INMT CYP2C19 1198/4885CYP2D6 294/4885CYP2C9 871/4885

“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.