SCHEMBL6338341

SCHEMBL6338341

O=C(Nc1nc2ccccc2s1)c1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 3/20 0.60
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 1/20 0.56
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
SPR P35270 1/20 0.52
CNR1 P21554 1/20 0.51
SCD O00767 2/20 0.49
PKM P14618 1/20 0.49
PAX8 Q06710 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NFKB1 P19838 1/20 0.49
HTT P42858 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL2860841 0.92 DHODH (0.55) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL24695110 0.84 SPR (0.67) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL24694882 0.81 NR4A3 (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL24694864 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL2858127 0.79 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL5954974 0.77 TRPV1 (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL977559 0.76 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL28693831 0.76 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL2853456 0.75 KMT2A (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL28705337 0.75 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTSMN1; SMN2POLB

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-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 ALDH1A1 399/4885KDM4E 4506/4885MAPT 4100/4885

“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.