SCHEMBL6324439

SCHEMBL6324439

NCc1ccc(O)c(C(Cc2ccccc2)Nc2ccnc3cc(C(=O)N4CCCC4)ccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.39
CAPN1 P07384 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
CSF1R P07333 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL8312721 0.91 PLA2G7 (0.39) HPGDCAPN1ALDH1A1PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL6325008 0.89 F10 (0.40) HPGDCAPN1ALDH1A1NPC1RAB9A
SCHEMBL6331770 0.79 F10 (0.47) HPGDCAPN1PKMSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6329967 0.79 HPGD (0.41) HPGDCAPN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL6324477 0.77 HAT1 (0.42) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8312535 0.77 CAPN1 (0.38) HPGDCAPN1PKMSMN1; SMN2NPC1
SCHEMBL6324855 0.77 CDK8 (0.41) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3003536 0.77 F10 (0.41) HPGDCAPN1ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6331804 0.76 F10 (0.40) HPGDCAPN1ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6323304 0.70 F10 (0.46) HPGD

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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 HPGD 1428/4885CAPN1 2654/4885ALDH1A1 1078/4885

“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.