SCHEMBL16545238

SCHEMBL16545238

O=C(NC1(c2cc(Cl)nc(Cl)c2)CC1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
P2RX7 Q99572 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TACR1 P25103 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 1/20 0.42
MGLL Q99685 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL16533768 0.89 P2RX7 (0.43) ALDH1A1P2RX7CTSLCTSBCTSS
SCHEMBL16545237 0.88 CTSB (0.40) ALDH1A1P2RX7CTSLCTSBCTSS
SCHEMBL16533725 0.85 P2RX7 (0.36) ALDH1A1P2RX7CTSLCTSBCTSS
SCHEMBL31247681 0.82 P2RX7 (0.46) ALDH1A1P2RX7CTSLCTSBCTSS
SCHEMBL5097407 0.81 MIF (0.49) ALDH1A1CTSLCTSBCTSSPOLB
SCHEMBL2989044 0.79 CTSS (0.56) ALDH1A1CTSLCTSBCTSSSMN1; SMN2
SCHEMBL14705997 0.79 P2RX7 (0.47) ALDH1A1P2RX7CTSLCTSBCTSS
SCHEMBL16545227 0.79 ATM (0.38) ALDH1A1P2RX7CTSLCTSBCTSS
SCHEMBL15873873 0.78 CTSL (0.47) CTSLCTSBCTSSHTTSMN1; SMN2
SCHEMBL12133695 0.78 SLC6A2 (0.45) ALDH1A1CTSLCTSBCTSSPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363640-A1 ANTIVIRAL COMPOUNDS Janssen Biopharma, Inc. (US) 2022-11-17 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 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 (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-20220363640-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 ALDH1A1 4011/4885P2RX7 2887/4885CTSL 845/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 ALDH1A1 4011/4885P2RX7 2887/4885CTSL 845/4885
US-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 ALDH1A1 4011/4885P2RX7 2887/4885CTSL 845/4885

“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.