SCHEMBL21881648

SCHEMBL21881648

Cc1cc(Cc2ccc(C#N)cc2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.47
CYP2A6 P11509 2/20 0.46
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
IDH1 O75874 1/20 0.42
AR P10275 2/20 0.42
ALDH1A1 P00352 2/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
DAO P14920 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MPO P05164 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL17971122 0.83 ESR1 (0.54) ESR1ESR2DAOMPOSLC6A2
SCHEMBL17971119 0.83 TRPV4 (0.42) ESR1ESR2DAOMAOAMAOB
SCHEMBL28925355 0.82 MPO (0.40) LOXL2CYP2A6IDH1ARMAOA
SCHEMBL22148972 0.80 ESR1 (0.47) CYP2A6ESR1ESR2DAOMPO
SCHEMBL16584850 0.79 LOXL2 (0.47) LOXL2CYP2A6SAE1UBA2IDH1
SCHEMBL532567 0.79 EGLN2 (0.48) CYP2A6ARALDH1A1GRM5
SCHEMBL23428853 0.78 CALM1 (0.48) IDH1ESR1ESR2DAOMPO
SCHEMBL1344068 0.77 LOXL2 (0.65) LOXL2CYP2A6SAE1UBA2ALDH1A1
SCHEMBL17971116 0.77 LOXL2 (0.47) LOXL2CYP2A6SAE1UBA2IDH1
SCHEMBL16922705 0.76 NSD2 (0.49) LOXL2CYP2A6SAE1UBA2IDH1

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-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-06-01 US disclosed
US-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-02 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-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST AGTR2, AGTR1, HCAR2 LOXL2 2169/4885CYP2A6 517/4885SAE1 3681/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 LOXL2 2169/4885CYP2A6 517/4885SAE1 3681/4885

“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.