SCHEMBL13240453

SCHEMBL13240453

COc1ccc(-n2nnnc2SCCSc2nnnn2C(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ HTT P42858 2/20 0.58
▸ LMNA P02545 5/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ THRB P10828 2/20 0.55
▸ MAPT P10636 4/20 0.51
▸ TSHR P16473 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ USP2 O75604 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ PTP4A3 O75365 1/20 0.50

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
SCHEMBL14825271 0.82 SMN1; SMN2 (0.70) SMN1; SMN2HTTLMNAALDH1A1THRB
SCHEMBL10673894 0.76 SMN1; SMN2 (0.65) SMN1; SMN2HTTLMNAALDH1A1THRB
SCHEMBL27782464 0.73 SMN1; SMN2 (0.76) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL10909136 0.71 SMN1; SMN2 (0.72) SMN1; SMN2LMNAALDH1A1THRBMAPT
SCHEMBL25669620 0.69 ALDH1A1 (0.53) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL21952045 0.69 LMNA (0.75) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL28188342 0.69 ALDH1A1 (0.55) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL25217463 0.68 ALDH1A1 (0.61) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL18686921 0.68 ALDH1A1 (0.72) SMN1; SMN2LMNAALDH1A1THRBMAPT
SCHEMBL6510534 0.68 ALDH1A1 (0.63) SMN1; SMN2HTTLMNAALDH1A1THRB

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-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — 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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 SMN1; SMN2 4378/4885HTT 1908/4885LMNA 2874/4885

“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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