SCHEMBL4580934

SCHEMBL4580934

CCc1cccc(CC)c1-c1cc2ccn(Cc3cc(C(C)=O)ccc3OC)c2cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 7/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
MAPK1 P28482 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1762705 0.86 LMNA (0.42) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4580311 0.82 MAPT (0.41) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL1762734 0.82 SYK (0.34) L3MBTL1ALDH1A1TSHRHTT
SCHEMBL1762935 0.77 HDAC8 (0.47) KMT2ASMN1; SMN2
SCHEMBL1762663 0.76 PTGER4 (0.46) RXFP1KMT2AALDH1A1MAPK1CYP3A4
SCHEMBL1762921 0.76 LCK (0.38) KMT2AALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL1762595 0.74 TP53 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL1762620 0.73 CYP11B1 (0.40) KMT2AALDH1A1
SCHEMBL1762851 0.73 HDAC3 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL1762822 0.73 SRPK2 (0.38) PTGDR2

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-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds NEUROGEN CORPORATION (US) 2008-10-30 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-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 RXFP1 245/4885MEN1 4175/4885KMT2A 4489/4885

“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.