SCHEMBL17790248

SCHEMBL17790248

CNCc1nnc(-c2ccccc2)o1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.64
▸ NPC1 O15118 4/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ HPGD P15428 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ GPR55 Q9Y2T6 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.61
▸ NOTUM Q6P988 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ KMT2A Q03164 2/20 0.58
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ POLB P06746 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL23451515 0.98 RAB9A (0.62) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL19343385 0.83 RAB9A (0.81) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL17788625 0.81 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL13870638 0.80 HDAC8 (0.67) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL8235977 0.79 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2HPGDTSHR
Dimethylamine SCHEMBL9350461 0.78 RAB9A (0.81) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11006387 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL28531581 0.78 KMT2A (0.73) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL17790217 0.77 GUSB (0.53) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL21303556 0.76 MAPT (0.66) RAB9ANPC1SMN1; SMN2HPGDTSHR

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-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — 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 (2 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 RAB9A 1385/4885NPC1 4667/4885SMN1; SMN2 834/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT RAB9A 1162/4885NPC1 7/4885SMN1; SMN2 74/4885

“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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