SCHEMBL18585667

SCHEMBL18585667

O=C(Nc1cccc(Cl)c1F)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.60
▸ MAPT P10636 4/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ KDR P35968 1/20 0.55
▸ DUSP3 P51452 1/20 0.55
▸ PTPN5 P54829 1/20 0.55
▸ CASP6 P55212 1/20 0.55
▸ PTPN11 Q06124 1/20 0.55
▸ PARP1 P09874 1/20 0.53
▸ PHGDH O43175 1/20 0.52
▸ RORC P51449 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ POLB P06746 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MITF O75030 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49

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
SCHEMBL11305501 0.86 MAPT (0.63) NPC1MAPTALDH1A1KDRDUSP3
SCHEMBL7372444 0.86 NPC1 (0.71) NPC1MAPTALDH1A1KDRDUSP3
SCHEMBL18585888 0.83 MAPT (0.64) NPC1MAPTRORCMEN1KMT2A
SCHEMBL28589236 0.81 MAPT (0.58) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL27919382 0.81 RAB9A (0.59) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL30523339 0.80 NPC1 (0.72) NPC1MAPTALDH1A1PARP1MEN1
SCHEMBL18585886 0.78 MEN1 (0.55) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL27704221 0.77 NPC1 (0.59) NPC1MAPTALDH1A1KDRDUSP3
SCHEMBL10981544 0.77 MAPT (0.69) NPC1MAPTALDH1A1DUSP3PTPN5
SCHEMBL8337442 0.77 NPC1 (0.80) NPC1MAPTALDH1A1KDRDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336688-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-02 — — US disclosed
US-10336688-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-02 — — US disclosed
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-05-16 — — US disclosed
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-05-16 — — US disclosed
US-10189775-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-01-29 — — US disclosed
US-10189775-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-01-29 — — US disclosed
US-20180237382-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-08-23 — — US disclosed
EP-3341357-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2018-07-04 — — EP disclosed
WO-2017037595-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-03-09 — — 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 (4 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-10336688-B2 Carbocyclic compounds as ROR gamma modulators RORB, RORC, RORA NPC1 1958/4885MAPT 1177/4885ALDH1A1 1718/4885
US-10189775-B2 Carbocyclic compounds as ROR gamma modulators RORB, RORC, RORA NPC1 1958/4885MAPT 1177/4885ALDH1A1 1718/4885
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORC, RORA NPC1 1932/4885MAPT 1086/4885ALDH1A1 1785/4885
US-20180237382-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORC, RORA NPC1 1932/4885MAPT 1086/4885ALDH1A1 1785/4885

“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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