SCHEMBL4629283

SCHEMBL4629283

NC(=Nc1ccccc1)NC(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ CYP2D6 P10635 3/20 0.49
▸ ADRA2A P08913 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ DRD3 P35462 1/20 0.49

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
SCHEMBL4629368 0.84 SCN2A (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ANOS1
SCHEMBL4627466 0.82 CTSD (0.60) KMT2ALMNACYP2D6ADRA2ACYP3A4
Hydrochloric Acid SCHEMBL4627439 0.81 CTSD (0.58) KMT2ALMNACYP2D6ADRA2ACYP3A4
SCHEMBL10646303 0.79 KMT2A (0.57) KMT2ALMNACYP2D6ADRA2ACYP3A4
Guanfacine SCHEMBL438188 0.77 AKR1B1 (0.53) KMT2ALMNACYP2D6ADRA2ACYP3A4
Guanfacine SCHEMBL35094 0.76 KMT2A (0.54) KMT2ALMNACYP2D6ADRA2ACYP3A4
Guanfacine SCHEMBL41681 0.75 ADRA2A (0.53) KMT2ALMNACYP2D6ADRA2ACYP3A4
Guanfacine SCHEMBL1173133 0.75 ADRA2A (0.53) KMT2ALMNACYP2D6ADRA2ACYP3A4
SCHEMBL18690871 0.73 NOS1 (0.61) KMT2ALMNACYP2D6ADRA2ACYP3A4
SCHEMBL18690870 0.73 NOS1 (0.61) KMT2ALMNACYP2D6ADRA2ACYP3A4

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
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 — — EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 — — US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 — — 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 (1 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA KMT2A 3245/4885LMNA 1283/4885CYP2D6 1306/4885

“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.

Send feedback