SCHEMBL18464326

SCHEMBL18464326

Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4nsnc34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPRT1 P00492 1/20 0.42
▸ SREBF2 Q12772 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40

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
SCHEMBL20806202 0.92 COMT (0.39) TDP1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL714013 0.90 ALDH1A1 (0.41) NPC1RAB9AHPGDTDP1NFKB1
SCHEMBL862821 0.90 COMT (0.40) NPC1RAB9ATDP1POLBSMN1; SMN2
SCHEMBL721818 0.86 TDO2 (0.39) NPC1RAB9AHPGDPOLBALDH1A1
SCHEMBL18961699 0.85 CES2 (0.44) NPC1RAB9AHPGDTDP1NFKB1
SCHEMBL13958188 0.83 LMNA (0.42) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL17659990 0.83 CYP2A6 (0.42) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL13937454 0.83 COMT (0.44) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL18464324 0.82 DHODH (0.44) NPC1RAB9AHPGDTDP1NFKB1
SCHEMBL14515086 0.79 ESR2 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702597-B2 Azo dye MERCK PATENT GMBH (DE) 2023-07-18 — — US disclosed
US-20230056437-A1 AZO DYE MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
US-11015123-B2 Liquid-crystal material MERCK PATENT GMBH (DE) 2021-05-25 — — US disclosed
US-20200255741-A1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2020-08-13 — — US disclosed
US-10723950-B2 Liquid-crystalline mixtures MERCK PATENT GMBH (DE) 2020-07-28 — — US disclosed
US-10626666-B2 Device for regulating the passage of light MERCK PATENT GMBH (DE) 2020-04-21 — — US disclosed
US-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound MERCK PATENT GMBH (DE) 2019-07-09 — — US disclosed
US-10260001-B2 Liquid crystal material MERCK PATENT GMBH (DE) 2019-04-16 — — US disclosed
US-20190016955-A1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2019-01-17 — — US disclosed
US-20170029702-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-02-02 — — 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-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound CRY1, SLC25A1, CRY2 NPC1 1165/4885RAB9A 1322/4885HPGD 818/4885

“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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