SCHEMBL12468914

SCHEMBL12468914

O=Nc1ccc(Br)cc1Nc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ APP P05067 1/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL31488271 1.00 AKR1C3 (0.39) AKR1C3AKR1C2RAPGEF4APPPTGS1
SCHEMBL20036817 0.86 AKR1C3 (0.50) AKR1C3AKR1C2KMT2AMEN1NPC1
SCHEMBL22158000 0.85 AKR1C3 (0.42) AKR1C3AKR1C2RAPGEF4APPPTGS1
SCHEMBL9221044 0.71 ALDH1A1 (0.47) AKR1C3AKR1C2RAPGEF4PTGS1KMT2A
SCHEMBL24225398 0.70 CYP2A6 (0.36) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL9220119 0.70 ALDH1A1 (0.65) RAPGEF4APPKMT2AMEN1NPC1
SCHEMBL16867585 0.70 RAPGEF4 (0.44) AKR1C3AKR1C2RAPGEF4APPPTGS1
SCHEMBL13129177 0.69 RAPGEF4 (0.44) AKR1C3AKR1C2RAPGEF4APPPTGS1
SCHEMBL21026044 0.69 HCAR3 (0.35) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL12838884 0.69 HTT (0.36) KMT2AMEN1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME INT TECH CO., LTD. (TW) 2020-07-02 — — US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 — — US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 — — US disclosed
WO-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 — — WO 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 (2 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-20200207752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME L1CAM, OR10J3, ODC1 AKR1C3 2646/4885AKR1C2 2614/4885RAPGEF4 2081/4885
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC AKR1C3 532/4885AKR1C2 1038/4885RAPGEF4 4017/4885

“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.

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