SCHEMBL19469983

SCHEMBL19469983

Cc1cccc(-n2c(S)nnc2Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
ALDH1A1 P00352 5/20 0.53
PKM P14618 1/20 0.50
TP53 P04637 5/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 4/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.41
TLR8 Q9NR97 1/20 0.41
VCP P55072 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
SCHEMBL3814453 0.85 ALDH1A1 (0.52) POLBALDH1A1PKMTP53MEN1
SCHEMBL14583724 0.80 TDP1 (0.49) ALDH1A1TP53MAPTLMNACYP1A2
SCHEMBL14598299 0.77 CALM1 (0.41) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL28504931 0.77 TLR8 (0.69) ALDH1A1MAPTNPSR1HTTLMNA
SCHEMBL541447 0.77 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL13703807 0.77 AVPR1A (0.49) ALDH1A1LMNATSHRSMN1; SMN2GAA
SCHEMBL14112936 0.76 TDP1 (0.49) ALDH1A1TP53MAPTLMNACYP1A2
SCHEMBL6403944 0.75 ALDH1A1 (0.60) ALDH1A1TP53MAPTHTTTSHR
SCHEMBL12768238 0.75 GFER (0.60) MAPTNPSR1SMN1; SMN2GAAVCP
SCHEMBL17758387 0.73 POLB (1.00) POLBALDH1A1MAPTGAA

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-10864248-B2 Dab2 inhibitors for the prevention and treatment of cystic fibrosis TRUSTEES OF DARTMOUTH COLLEGE (US) 2020-12-15 US disclosed
US-20170304392-A1 DAB2 INHIBITORS FOR THE PREVENTION AND TREATMENT OF CYSTIC FIBROSIS TRUSTEES OF DARTMOUTH COLLEGE 2017-10-26 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-10864248-B2 Dab2 inhibitors for the prevention and treatment of cystic fibrosis CFTR, DAB2IP, CLCN2 POLB 3804/4885ALDH1A1 2913/4885PKM 4695/4885
US-20170304392-A1 DAB2 INHIBITORS FOR THE PREVENTION AND TREATMENT OF CYSTIC FIBROSIS CFTR, DAB2IP, CLCN2 POLB 3811/4885ALDH1A1 2889/4885PKM 4694/4885

“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.