SCHEMBL16340990

SCHEMBL16340990

O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cc(O)cc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ COMT P21964 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ LCLAT1 Q6UWP7 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL15095046 0.85 MAPT (0.41) RAB9ANPC1TP53KMT2AMEN1
SCHEMBL15094496 0.84 RXFP1 (0.49) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL31680549 0.80 MMP2 (0.54) RAB9ANPC1MAPK1KMT2AMEN1
SCHEMBL1249670 0.80 NPC1 (0.55) RAB9ANPC1TP53KMT2AMEN1
SCHEMBL15094744 0.79 KMT2A (0.49) RAB9ANPC1MAPK1KMT2AMEN1
SCHEMBL21067860 0.79 KMT2A (0.58) RAB9ANPC1TP53KMT2AMEN1
SCHEMBL9863429 0.79 NR1H4 (0.43) RAB9ANPC1TP53KMT2AMEN1
Water SCHEMBL9417276 0.78 NR1H4 (0.43) RAB9ANPC1TP53KMT2AMEN1
SCHEMBL22167182 0.78 MGLL (0.54) KMT2AMEN1MAPTLMNA
SCHEMBL23796525 0.78 LMNA (0.42) RAB9ANPC1TP53KMT2AMEN1

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
US-10604493-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-03-31 — — US claimed
US-10604493-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-03-31 — — US disclosed
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment UNIVERSITY OF SOUTH FLORIDA 2017-03-30 — — US disclosed
US-9556131-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 — — US disclosed
US-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA 2014-12-25 — — 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-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT LIPA, LCT, GAA RAB9A 2492/4885NPC1 2030/4885TP53 2502/4885
US-10604493-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA RAB9A 2492/4885NPC1 2030/4885TP53 2502/4885
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment LIPA, LCT, GAA RAB9A 2492/4885NPC1 2030/4885TP53 2502/4885

“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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