SCHEMBL8769590

SCHEMBL8769590

O=C(Nc1ccc(Nc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)cc1)c1cc2ccccc2[nH]1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.82
▸ RAB9A P51151 2/20 0.82
▸ LMNA P02545 1/20 0.82
▸ SMN1; SMN2 Q16637 1/20 0.82
▸ EGFR P00533 8/20 0.74
▸ PIK3CA P42336 8/20 0.74
▸ KDM1A O60341 1/20 0.64
▸ RCOR1 Q9UKL0 1/20 0.64
▸ IDO1 P14902 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ TP53 P04637 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ FLT3 P36888 1/20 0.57
▸ MMP2 P08253 1/20 0.57
▸ MMP14 P50281 1/20 0.57
▸ PIN1 Q13526 1/20 0.56
▸ MAPT P10636 1/20 0.56

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
SCHEMBL21254737 0.91 NPC1 (0.68) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL7208136 0.90 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL29475123 0.90 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2EGFR
Hydrochloric Acid SCHEMBL16465542 0.89 NPC1 (0.97) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL7590295 0.88 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL16627058 0.88 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL6037548 0.88 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL19476163 0.88 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL17433428 0.88 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL27335879 0.88 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488486-B1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARM INC (US) 2019-08-14 — — EP disclosed
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 — — US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 — — US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 — — US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 — — US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 — — US disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 — — WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 — — 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL NPC1 4635/4885RAB9A 4230/4885LMNA 4611/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885RAB9A 3140/4885LMNA 3995/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885RAB9A 3140/4885LMNA 3995/4885

“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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