SCHEMBL222902

SCHEMBL222902

CCOC(=O)c1ccc2c(c1)[C@@H](Oc1ccc(N)cc1)C[C@H](C)N2C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
BRD4 O60885 11/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD2 P25440 3/20 0.38
BRD3 Q15059 3/20 0.38
CCL2 P13500 2/20 0.38
EP300 Q09472 1/20 0.38
BRDT Q58F21 1/20 0.38
CREBBP Q92793 1/20 0.38
ALOX15 P16050 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
SCHEMBL223664 0.90 BRD4 (0.47) LMNABRD4SMN1; SMN2TSHRNPSR1
SCHEMBL224530 0.90 BRD4 (0.47) LMNABRD4SMN1; SMN2TSHRNPSR1
SCHEMBL224531 0.90 BRD4 (0.47) LMNABRD4SMN1; SMN2TSHRNPSR1
SCHEMBL225382 0.90 BRD4 (0.45) LMNACYP3A4BRD4SMN1; SMN2TSHR
SCHEMBL224220 0.87 KMT2A (0.43) LMNACYP1A2CYP3A4SMN1; SMN2MEN1
SCHEMBL15890804 0.87 BRD4 (0.45) LMNACYP3A4BRD4SMN1; SMN2TSHR
SCHEMBL223584 0.85 SIRT2 (0.45) LMNASMN1; SMN2MEN1MAPTKMT2A
SCHEMBL222991 0.80 SMN1; SMN2 (0.56) LMNABRD4SMN1; SMN2TSHRNPSR1
SCHEMBL225279 0.80 BRD4 (0.46) BRD4SMN1; SMN2KMT2ABRD2BRD3
SCHEMBL224343 0.80 BRD4 (0.46) BRD4SMN1; SMN2KMT2ABRD2BRD3

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-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2012-01-05 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-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 LMNA 4334/4885CYP1A2 2178/4885CYP3A4 2810/4885

“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.