SCHEMBL9911399

SCHEMBL9911399

Cc1ccc(-n2cccn2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
G6PD P11413 1/20 0.46
NOTUM Q6P988 1/20 0.44
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
BCHE P06276 1/20 0.41
HCRTR1 O43613 6/20 0.40
HCRTR2 O43614 6/20 0.40
METAP2 P50579 1/20 0.39
BDKRB2 P30411 1/20 0.39

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
SCHEMBL31175950 0.86 MAPT (0.46) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL6265412 0.82 ALDH1A1 (0.49) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL30055522 0.82 NOTUM (0.56) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL11023550 0.82 NOTUM (0.56) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL30884177 0.79 ALDH1A1 (0.46) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL19814276 0.79 ALDH1A1 (0.46) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL27819827 0.79 KCNN4 (0.50) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL7031591 0.79 ALDH1A1 (0.46) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL30949564 0.79 ALDH1A1 (0.46) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL16911659 0.79 MEN1 (0.55) KMT2AALDH1A1MEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 US 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-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E KMT2A 1509/4885ALDH1A1 411/4885MEN1 4595/4885

“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.