SCHEMBL4890210

SCHEMBL4890210

O=[N+]([O-])c1ccccc1N(CCO)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
GPR35 Q9HC97 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSD P07339 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
VCAM1 P19320 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3862962 0.79 NSD2 (0.49) ALDH1A1KDM4ETSHRNPC1RECQL
SCHEMBL27727791 0.74 HCAR3 (0.48) ALDH1A1KDM4ETSHRNPC1RAB9A
SCHEMBL3354917 0.73 HSD17B10 (0.48) ALDH1A1TSHRNPC1RECQLRAB9A
SCHEMBL10618157 0.72 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRTDP1GPR35
SCHEMBL9777370 0.70 GPR35 (0.38) ALDH1A1TSHRNPC1RECQLRAB9A
SCHEMBL3655437 0.69 ALDH1A1 (0.46) ALDH1A1TSHRNPC1RECQLRAB9A
SCHEMBL11293523 0.69 PDK1 (0.43) ALDH1A1TSHRHTTTDP1GPR35
SCHEMBL8893719 0.69 KDM4E (0.44) ALDH1A1KDM4ETSHRRAB9ATDP1
SCHEMBL11509787 0.69 KMT2A (0.42) ALDH1A1KDM4ETSHRHTTTDP1
SCHEMBL11565380 0.68 HSD17B10 (0.52) ALDH1A1TSHRNPC1RECQLRAB9A

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-7431741-B2 Brightening colorant with indolythiazolium dyes WELLA AG (DE) 2008-10-07 US disclosed
US-20070180631-A1 Brightening colorant with indolythiazolium dyes Wella GmbH (DE) 2007-08-09 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-20070180631-A1 Brightening colorant with indolythiazolium dyes KRT18, TUBB1, IK ALDH1A1 89/4885KDM4E 997/4885TSHR 3545/4885

“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.