SCHEMBL17853593

SCHEMBL17853593

c1cncc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc5c6c(cccc46)-c4ccccc4-5)n3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.41
▸ CYP19A1 P11511 2/20 0.38
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ USP1 O94782 6/20 0.35
▸ WDR48 Q8TAF3 6/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ AOC3 Q16853 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ GRM5 P41594 1/20 0.35

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
SCHEMBL17853570 0.90 KDM4E (0.46) DHODHCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL17853584 0.90 DHODH (0.40) DHODHCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL17853592 0.89 DHODH (0.37) DHODHMAPTKDM4EALDH1A1HPGD
SCHEMBL24812007 0.89 KDM4E (0.41) DHODHMAPTKDM4EALDH1A1HPGD
SCHEMBL19167468 0.88 DHODH (0.51) DHODHCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL19167812 0.88 DHODH (0.51) DHODHCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL17853657 0.87 DHODH (0.40) DHODHCYP19A1CYP11B1MAPTKDM4E
SCHEMBL17853655 0.86 DHODH (0.41) DHODHCYP19A1CYP11B1MAPTKDM4E
SCHEMBL17853602 0.85 USP1 (0.49) DHODHCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL19167814 0.85 DHODH (0.48) DHODHCYP19A1CYP11B1CYP11B2MAPT

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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 DHODH 3921/4885CYP19A1 482/4885CYP11B1 2679/4885

“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.

Send feedback