SCHEMBL282329

SCHEMBL282329

Cc1cc(Oc2ccc(N)cc2)c[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
TEAD4 Q15561 1/20 0.57
TDP1 Q9NUW8 4/20 0.56
CYP3A4 P08684 2/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 5/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
NLRP1 Q9C000 1/20 0.50
NOD2 Q9HC29 1/20 0.50
MAOA P21397 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL41849 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TEAD4TDP1CYP3A4
SCHEMBL1331804 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TEAD4TDP1CYP3A4
SCHEMBL202864 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TEAD4TDP1CYP3A4
SCHEMBL10576066 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TEAD4TDP1CYP3A4
SCHEMBL4446167 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TEAD4TDP1CYP3A4
SCHEMBL4455485 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TEAD4TDP1CYP3A4
SCHEMBL2013073 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TEAD4TDP1CYP3A4
SCHEMBL65211 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TEAD4TDP1CYP3A4
SCHEMBL17865520 0.74 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TEAD4TDP1CYP3A4
SCHEMBL177861 0.73 TEAD4 (1.00) ALDH1A1SMN1; SMN2TEAD4TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957087-B2 Heterocyclic substituted acardite derivate and application thereof Jiangsu Provincial Institute of Materia Medica Co., Ltd. (CN) 2015-02-17 US disclosed
EP-2428506-B1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF NANJING LUYESIKE PHARMACEUTICAL CO LTD (CN) 2014-03-05 EP disclosed
EP-2428506-A1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF Jiangsu Provincial Institute Of Materia Medica Co. (CN) 2012-03-14 EP disclosed
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof NANJING LUYESIKE PHARMACEUTICAL CO., LTD. (CN) 2012-03-01 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-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1, CA7 ALDH1A1 112/4885SMN1; SMN2 4488/4885TEAD4 3109/4885

“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.