SCHEMBL9909252

SCHEMBL9909252

COC(=O)c1ccc2ncc(I)c(-c3ccc(C)cc3F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
HTR5A P47898 1/20 0.41
HDAC1 Q13547 2/20 0.40
PAX8 Q06710 1/20 0.40
KDM4E B2RXH2 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.38
CREBBP Q92793 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL9907595 0.87 HTR5A (0.55) MAPTALDH1A1HPGDHTR5AHDAC1
SCHEMBL9909251 0.85 CYP11B1 (0.39) MAPTHTR5APAX8KDM4ESMN1; SMN2
SCHEMBL9909271 0.85 KDM4E (0.44) MAPTALDH1A1HPGDHTR5APAX8
SCHEMBL9907396 0.80 HTR5A (0.52) MAPTHPGDHTR5APAX8KDM4E
SCHEMBL9907399 0.80 ALOX15 (0.46) MAPTALDH1A1HPGDHDAC1KDM4E
SCHEMBL9907441 0.78 HTR5A (0.45) MAPTHTR5APAX8SMN1; SMN2TP53
SCHEMBL9103249 0.77 HTR5A (0.67) MAPTHPGDHTR5AKDM4ESMN1; SMN2
SCHEMBL9907600 0.76 HTR5A (0.45) MAPTALDH1A1HPGDHTR5APAX8
SCHEMBL9907444 0.76 HTR5A (0.47) MAPTALDH1A1HTR5APAX8KDM4E
SCHEMBL9909256 0.75 HTR5A (0.54) HTR5APAX8TP53HTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MAPT 342/4885ALDH1A1 1799/4885HPGD 1267/4885

“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.