SCHEMBL17318531

SCHEMBL17318531

O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.62
▸ TSHR P16473 3/20 0.62
▸ TP53 P04637 3/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ KDM4E B2RXH2 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ USP2 O75604 3/20 0.60
▸ LMNA P02545 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ HTT P42858 3/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ MAPT P10636 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ ADCY1 Q08828 2/20 0.53
▸ RECQL P46063 1/20 0.51
▸ HDAC1 Q13547 1/20 0.50
▸ ALOX15 P16050 1/20 0.48

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
SCHEMBL17716990 0.84 KMT2A (0.64) SMN1; SMN2TSHRTP53ALOX12KDM4E
SCHEMBL17717112 0.83 HTT (0.59) SMN1; SMN2TSHRKDM4ERAB9ANPC1
SCHEMBL17717106 0.81 KDM4E (0.62) SMN1; SMN2ALOX12KDM4ELMNAMEN1
SCHEMBL17717012 0.78 SMN1; SMN2 (0.76) SMN1; SMN2TSHRTP53ALOX12KDM4E
SCHEMBL26665263 0.78 SMN1; SMN2 (0.69) SMN1; SMN2TSHRTP53ALOX12KDM4E
SCHEMBL17318628 0.77 SMN1; SMN2 (1.00) SMN1; SMN2TSHRTP53ALOX12KDM4E
SCHEMBL26665235 0.77 SMN1; SMN2 (0.67) SMN1; SMN2TSHRTP53ALOX12KDM4E
SCHEMBL17716989 0.75 SMN1; SMN2 (0.65) SMN1; SMN2TSHRTP53ALOX12KDM4E
SCHEMBL17716971 0.75 MEN1 (0.66) SMN1; SMN2TSHRTP53ALOX12KDM4E
SCHEMBL17318591 0.75 SMN1; SMN2 (1.00) SMN1; SMN2TSHRTP53ALOX12KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 — — US disclosed
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 — — 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-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 SMN1; SMN2 498/4885TSHR 4476/4885TP53 4582/4885

“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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