SCHEMBL4626883

SCHEMBL4626883

O=C(NCCc1ccccc1)c1c[c][c]cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
RAB9A P51151 10/20 0.57
NPC1 O15118 9/20 0.57
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MLYCD O95822 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
HSD17B10 Q99714 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52

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
SCHEMBL4628943 0.91 NPC1 (0.68) RAB9ANPC1SMN1; SMN2MLYCDL3MBTL1
SCHEMBL4628549 0.84 HDAC6 (0.57) HDAC2HDAC8HDAC6RAB9AHDAC1
SCHEMBL2118595 0.83 HDAC2 (0.69) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL751214 0.80 HDAC2 (0.80) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL4629046 0.80 CA1 (0.49) L3MBTL1
SCHEMBL4626846 0.79 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2956135 0.79 HPGD (0.47) HDAC6HDAC4SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL28193721 0.79 HDAC2 (0.77) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL4627897 0.78 L3MBTL1 (0.49) SMN1; SMN2KMT2AL3MBTL1
SCHEMBL4628882 0.77 MAPK1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601656-A4 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-11 EP claimed
US-7138412-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US claimed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US claimed
EP-1601656-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-07 EP claimed
US-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US claimed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed
WO-2004080971-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-23 WO claimed
EP-1601656-A4 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-11 EP disclosed
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP disclosed
US-7138412-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US disclosed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP disclosed
EP-1601656-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-07 EP disclosed
US-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US disclosed
WO-2004080971-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-23 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-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 HDAC2 294/4885HDAC8 1525/4885HDAC6 2085/4885
US-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors TFPI, F2, TFPI2 HDAC2 1073/4885HDAC8 2772/4885HDAC6 3738/4885

“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.