SCHEMBL4239262

SCHEMBL4239262

Nc1ccc(-c2ccc(-c3ccc(Nc4c(-c5ccccc5)ccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.53
CYP3A4 P08684 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 4/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PRKCZ Q05513 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL4232444 0.91 ALDH1A1 (0.42) KDM1ACYP3A4ALDH1A1MAPTALOX12
SCHEMBL2869307 0.90 KDM1A (0.46) KDM1ACYP3A4ALDH1A1MAPTCYP1A2
SCHEMBL4979017 0.86 HSD17B10 (0.48) KDM1ACYP3A4ALDH1A1MAPTALOX12
SCHEMBL4236618 0.85 ABCG2 (0.46) KDM1ACYP3A4ALDH1A1MAPTCYP1A2
SCHEMBL23780947 0.84 ALDH1A1 (0.41) CYP3A4ALDH1A1MAPTCYP1A2HSD17B10
SCHEMBL6405547 0.82 ABCG2 (0.48) KDM1ACYP3A4ALDH1A1MAPTCYP1A2
SCHEMBL15400423 0.81 ALDH1A1 (0.44) CYP3A4ALDH1A1MAPTCYP1A2HTT
SCHEMBL3798579 0.80 ATM (0.42) KDM1ACYP3A4ALDH1A1MAPTHTT
SCHEMBL5145522 0.79 ALDH1A1 (0.42) KDM1ACYP3A4ALDH1A1MAPTCYP1A2
SCHEMBL28139287 0.79 ALDH1A1 (0.47) KDM1ACYP3A4ALDH1A1MAPTCYP1A2

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-20090115320-A1 AROMATIC TRIAMINE COMPOUND AND ORGANIC ELECTTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-05-07 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-20090115320-A1 AROMATIC TRIAMINE COMPOUND AND ORGANIC ELECTTROLUMINESCENCE DEVICE USING THE SAME EML4, ACVRL1, APOL1 KDM1A 1336/4885CYP3A4 1349/4885ALDH1A1 1929/4885

“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.