SCHEMBL4966677

SCHEMBL4966677

CC(C)(C)c1ccc(NC(=O)c2cc(F)cnc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TRPV1 Q8NER1 4/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ATF1 P18846 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NAMPT P43490 1/20 0.45

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
SCHEMBL4966684 0.88 NFKB1 (0.58) RAB9ANPC1SMN1; SMN2HTTNPSR1
SCHEMBL5423454 0.87 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4969220 0.86 NFKB1 (0.47) RAB9AMAPK1HTTATF1NFKB1
SCHEMBL4971162 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4970824 0.85 P2RX1 (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4967762 0.83 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4967520 0.83 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4970130 0.80 ABL1 (0.67) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4968769 0.80 NR3C1 (0.52) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4971359 0.80 GBA1 (0.46) RAB9ANPC1KMT2AMEN1MAPK1

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-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 — — US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 — — EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 — — EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 — — US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 — — 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 (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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS RAB9A 2012/4885NPC1 176/4885SMN1; SMN2 2119/4885

“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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