SCHEMBL19612657

SCHEMBL19612657

CCCCC(C(=O)Cl)c1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.55
FFAR1 O14842 2/20 0.55
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HTR2A P28223 1/20 0.44

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
SCHEMBL21067833 0.88 MEN1 (0.61) GPR84FFAR1KMT2AMEN1MAPT
SCHEMBL4858383 0.88 MEN1 (0.61) GPR84FFAR1KMT2AMEN1MAPT
SCHEMBL28224620 0.84 GPR84 (0.52) GPR84FFAR1KMT2AMEN1MAPT
SCHEMBL28860693 0.83 MEN1 (0.59) GPR84FFAR1KMT2AMEN1MAPT
SCHEMBL16634428 0.81 HDAC3 (0.55) GPR84FFAR1KMT2AMEN1MAPT
SCHEMBL28224613 0.80 HDAC3 (0.51) GPR84FFAR1KMT2AMEN1MAPT
SCHEMBL4860329 0.79 GPR84 (0.68) GPR84FFAR1KMT2AMEN1MAPT
SCHEMBL20553142 0.79 GPR84 (0.68) GPR84FFAR1KMT2AMEN1MAPT
SCHEMBL7001304 0.78 GPR84 (0.81) GPR84FFAR1KMT2AMEN1MAPT
SCHEMBL6261183 0.78 KMT2A (0.50) GPR84FFAR1KMT2AMEN1MAPT

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-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof XIAMEN UNIVERSITY (CN) 2019-01-08 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
CN-107074788-A Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2017-08-18 CN 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-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof FAAH, NAAA, FAAH2 GPR84 719/4885FFAR1 917/4885KMT2A 1298/4885
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof DHPS, CYP3A5, CYP3A4 GPR84 4695/4885FFAR1 4123/4885KMT2A 1287/4885

“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.