SCHEMBL4825857

SCHEMBL4825857

Cc1nc(Cc2ccc(N)cc2)sc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NOS1 P29475 1/20 0.41
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK10 P53779 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6183830 0.81 SLC6A3 (0.50) ALDH1A1SMN1; SMN2SLC6A3POLB
SCHEMBL27978170 0.77 MEN1 (0.52) ALDH1A1TSHRTDP1LMNASMN1; SMN2
SCHEMBL4834573 0.76 RAB9A (0.51) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL12641895 0.76 APP (0.51) ALDH1A1NOS1SMN1; SMN2CYP19A1NPC1
SCHEMBL18332628 0.75 LTA4H (0.45) ALDH1A1TDP1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL18320947 0.74 LTA4H (0.44) ALDH1A1CYP3A4TDP1LMNAHPGD
SCHEMBL13573320 0.72 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL18332569 0.72 ALDH1A1 (0.40) ALDH1A1TDP1LMNAHPGDSMN1; SMN2
SCHEMBL9457501 0.71 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRTDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL18320923 0.71 ALDH1A1 (0.39) ALDH1A1TDP1LMNAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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 (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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885CYP3A4 2152/4885TSHR 1173/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885CYP3A4 2152/4885TSHR 1173/4885

“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.