SCHEMBL4913109

SCHEMBL4913109

O=C1Oc2ccccc2C(=O)/C1=C/N1C(=O)N/C(=C\c2ccccc2Br)C1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.77
▸ CYP1A2 P05177 1/20 0.77
▸ CYP3A4 P08684 1/20 0.77
▸ CYP2D6 P10635 1/20 0.77
▸ CYP2C9 P11712 1/20 0.77
▸ CYP2C19 P33261 1/20 0.77
▸ SOS1 Q07889 6/20 0.63
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ ALPI P09923 1/20 0.41
▸ MIF P14174 1/20 0.40
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL4352040 1.00 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4345025 0.87 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4345029 0.87 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4906803 0.81 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4350368 0.81 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4352713 0.78 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4909985 0.78 SOS1 (0.65) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4345256 0.78 SOS1 (0.65) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4914308 0.78 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17762644 0.78 SOS1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 — — US claimed
US-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 — — 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-20080318987-A1 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION BMP4, BMP2, SOST ALDH1A1 3934/4885CYP1A2 4622/4885CYP3A4 4744/4885

“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