SCHEMBL4152822

SCHEMBL4152822

c1cnc2c3c(ccc2c1)CNC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
TSHR P16473 3/20 0.52
CCR1 P32246 3/20 0.52
CCR5 P51681 3/20 0.52
CCR8 P51685 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
MMP2 P08253 2/20 0.52
ALOX15 P16050 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MMP9 P14780 1/20 0.52
NFKB1 P19838 1/20 0.52
MMP8 P22894 1/20 0.52

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
SCHEMBL30774207 0.77 LMNA (0.60) LMNATSHRCCR1CCR5CCR8
SCHEMBL20530705 0.73 LMNA (0.46) LMNATSHRCCR1CCR5CCR8
Phenanthroline SCHEMBL28886042 0.73 CCR1 (0.94) LMNATSHRCCR1CCR5CCR8
SCHEMBL22744580 0.71 LMNA (0.43) LMNATSHRCCR1CCR5CCR8
SCHEMBL22744401 0.71 SSTR4 (0.53) LMNATSHRCCR1CCR5CCR8
Phenanthroline SCHEMBL29367277 0.71 CCR1 (1.00) LMNATSHRCCR1CCR5CCR8
Phenanthroline SCHEMBL8845760 0.71 CCR1 (1.00) LMNATSHRCCR1CCR5CCR8
Phenanthroline SCHEMBL29354015 0.71 CCR1 (1.00) LMNATSHRCCR1CCR5CCR8
Phenanthroline SCHEMBL8312 0.71 CCR1 (1.00) LMNATSHRCCR1CCR5CCR8
SCHEMBL1938502 0.69 LMNA (0.46) LMNATSHRTDP1HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212048-B2 Method of producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-03 US claimed
US-8212048-B2 Method of producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-03 US disclosed
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 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-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND AHR, CYP1A1, ARNT LMNA 2466/4885TSHR 1530/4885CCR1 524/4885

“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.