SCHEMBL3712426

SCHEMBL3712426

O=C(c1ccccc1)c1nc2ccccc2nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 3/20 0.53
HPGD P15428 3/20 0.53
TDP1 Q9NUW8 2/20 0.50
CNR2 P34972 2/20 0.47
MAOA P21397 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
GLA P06280 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL18339175 0.86 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL30816665 0.86 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL634399 0.82 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2HPGDTDP1
Hydrochloric Acid SCHEMBL10562751 0.81 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2HPGDTDP1
SCHEMBL9388398 0.79 MAOA (0.52) ALDH1A1MAPTSMN1; SMN2HTTHPGD
SCHEMBL6992814 0.79 TDP1 (0.56) ALDH1A1MAPTSMN1; SMN2HPGDTDP1
SCHEMBL3701892 0.79 TDP1 (0.56) ALDH1A1MAPTSMN1; SMN2HPGDTDP1
SCHEMBL11177962 0.78 HTT (0.58) ALDH1A1MAPTSMN1; SMN2HTTHPGD
Bicarbonate SCHEMBL10870596 0.78 TDP1 (0.75) ALDH1A1MAPTSMN1; SMN2HPGDTDP1
SCHEMBL28327975 0.77 CNR2 (0.51) ALDH1A1MAPTSMN1; SMN2HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 US disclosed
WO-2008003702-A2 FUSED BICYCLIC COMPOUNDS INTERACTING WITH THE HISTAMINE H4 RECEPTOR VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2008-01-10 WO 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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 ALDH1A1 35/4885MAPT 2662/4885SMN1; SMN2 3565/4885

“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.