SCHEMBL4580311

SCHEMBL4580311

CCc1cccc(CC)c1-c1cc2ccn(Cc3cccc(OC)c3OC)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
SERPINE1 P05121 1/20 0.40
MIF P14174 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CD74 P04233 2/20 0.39
RAB9A P51151 2/20 0.38
P2RX7 Q99572 1/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCRTR2 O43614 1/20 0.37
GAA P10253 1/20 0.37

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 0.91 LMNA (0.42) LMNASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL1762734 0.85 SYK (0.34) LMNASERPINE1ALDH1A1TSHR
SCHEMBL4580934 0.82 RXFP1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL1762935 0.82 HDAC8 (0.47) MAPTLMNASMN1; SMN2KMT2A
SCHEMBL1762663 0.81 PTGER4 (0.46) MAPTLMNAKMT2AALDH1A1TSHR
SCHEMBL1762466 0.80 KMT2A (0.43) MAPTLMNASMN1; SMN2KDM4EMEN1
SCHEMBL1763066 0.78 EPHX2 (0.41) P2RX7
SCHEMBL1762595 0.78 TP53 (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1762851 0.78 HDAC3 (0.41) MAPTLMNASMN1; SMN2NPC1THRB
SCHEMBL1762620 0.78 CYP11B1 (0.40) NPC1KMT2AALDH1A1

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-7906528-B2 Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-15 US disclosed
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 MAPT 4578/4885LMNA 4705/4885SERPINE1 728/4885

“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.