SCHEMBL1702686

SCHEMBL1702686

O=C(Cl)CCc1nnnn1-c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.50
ALDH1A1 P00352 9/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HTT P42858 4/20 0.46
ADRB2 P07550 1/20 0.43
NOTUM Q6P988 1/20 0.39
P2RX4 Q99571 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1493532 0.88 HSD11B1 (0.54) HSD11B1ALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL13547674 0.87 HSD11B1 (0.53) HSD11B1ALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL5592811 0.78 HSD11B1 (0.70) HSD11B1ALDH1A1MAPTHPGDMEN1
SCHEMBL13547706 0.77 RORC (0.46) HSD11B1ALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL1703004 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL27636579 0.72 ALDH1A1 (0.49) ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL860219 0.71 ALDH1A1 (0.50) ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL1493310 0.71 ALDH1A1 (0.42) HSD11B1ALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL859415 0.69 ALDH1A1 (0.74) ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL6361717 0.69 NR4A1 (0.43) HSD11B1ALDH1A1HSD17B10SMN1; SMN2MAPT

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
EP-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 EP disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
EP-1569919-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-09-07 EP disclosed
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-10 US disclosed
WO-2004050643-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-06-17 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-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors NAT1, SUB1, RTF2 HSD11B1 1036/4885ALDH1A1 1533/4885HSD17B10 669/4885

“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.