SCHEMBL4549640

SCHEMBL4549640

C[n+]1c2ccc(C(=O)O)cc2n2c1n1c3cc(C(=O)O)ccc3nc1n1c3cc(C(=O)O)ccc3[n+](C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
GAA P10253 4/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
HSP90AA1 P07900 1/20 0.39
ESR2 Q92731 1/20 0.39
ACSS2 Q9NR19 1/20 0.38
CDH1 P12830 1/20 0.37
APC P25054 1/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
FGFR1 P11362 1/20 0.36
HCAR3 P49019 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
SCHEMBL4549639 0.95 TDP1 (0.39) TDP1GAAKDM4EMAPTALDH1A1
SCHEMBL4549638 0.88 HSD17B10 (0.40) TDP1GAAKDM4EMAPTALDH1A1
SCHEMBL4549641 0.82 HSD17B10 (0.43) TDP1HPGDRAB9AMEN1KMT2A
SCHEMBL824437 0.80 TDP1 (0.49) TDP1GAAKDM4EMAPTALDH1A1
SCHEMBL824420 0.75 HSD17B10 (0.48) TDP1GAAKDM4EALDH1A1HPGD
SCHEMBL824415 0.75 HSD17B10 (0.48) TDP1GAAKDM4EALDH1A1HPGD
SCHEMBL16488365 0.70 PDE2A (0.40) TDP1GAAKDM4EMAPTALDH1A1
SCHEMBL824442 0.68 HSD17B10 (0.53) TDP1GAAKDM4EALDH1A1HPGD
SCHEMBL14666218 0.66 KDM4E (0.43) TDP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18247596 0.64 TDP1 (0.53) TDP1GAAKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895118-B2 Negative dispersion retardation plate and achromatic circular polarizer CRYSOPTIX K.K. (JP) 2014-11-25 US disclosed
US-20120113380-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2012-05-10 US disclosed
US-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof CRYSOPTIX KK (JP) 2010-11-04 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-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof BMX, ABCG2, BRI3BP TDP1 3607/4885GAA 3517/4885KDM4E 1712/4885

“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.