SCHEMBL10000105

SCHEMBL10000105

c1ccc(C(c2ccc[nH]2)c2cccc3ncccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.36
SLC6A3 Q01959 7/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
CYP3A4 P08684 1/20 0.34
P2RX7 Q99572 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NSD2 O96028 1/20 0.33
LMNA P02545 2/20 0.33
ACVR1 Q04771 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL13247046 0.91 SLC6A3 (0.37) KDM4EALDH1A1MAPTSLC6A3SLC6A2
SCHEMBL13247045 0.88 SLC6A3 (0.42) KDM4EALDH1A1MAPTSLC6A3SLC6A2
SCHEMBL13247044 0.85 MAPT (0.45) KDM4EALDH1A1MAPTSLC6A3SLC6A2
SCHEMBL700313 0.82 ADRA2A (0.49) KDM4EALDH1A1MAPTSLC6A3SLC6A2
SCHEMBL13247010 0.81 ADRA2A (0.45) KDM4EMAPTSLC6A2CYP3A4POLB
SCHEMBL10000101 0.80 PSMD14 (0.39) KDM4EALDH1A1MAPTSLC6A3SLC6A2
SCHEMBL13247041 0.74 ADRA2A (0.46) KDM4EMAPTSLC6A3SLC6A2SLC6A4
SCHEMBL13247040 0.73 ADRA2A (0.45) SLC6A3SLC6A2SLC6A4CFTRGOPC
SCHEMBL16060314 0.72 SLC6A3 (0.65) KDM4EALDH1A1MAPTSLC6A3SLC6A2
SCHEMBL16154381 0.72 KDM4E (0.47) KDM4EALDH1A1MAPTCYP3A4P2RX7

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-8124774-B2 Therapeutic ((phenyl)imidazolyl)methylquinolinyl compounds ALLERGAN, INC. (US) 2012-02-28 US disclosed
US-20100197729-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS ALLERDAN, INC. (US) 2010-08-05 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-20100197729-A1 THERAPEUTIC ((PHENYL)IMIDAZOLYL)METHYLQUINOLINYL COMPOUNDS GOT2, COQ8A, OAT KDM4E 3202/4885ALDH1A1 1578/4885MAPT 623/4885

“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.