SCHEMBL16841257

SCHEMBL16841257

COc1ccc(C(=O)Nc2ccccc2-c2cc(-c3ccco3)n[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.53
▸ MAPT P10636 5/20 0.52
▸ RAB9A P51151 4/20 0.50
▸ ABCG2 Q9UNQ0 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ F10 P00742 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ AHR P35869 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ STK33 Q9BYT3 1/20 0.46

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
SCHEMBL17938566 0.92 GPR35 (0.53) GPR35MAPTRAB9AABCG2HPGD
SCHEMBL16841242 0.83 KMT2A (0.46) MAPTRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL16841243 0.82 TSHR (0.55) GPR35MAPTRAB9AHPGDNPC1
SCHEMBL17943334 0.81 MAPT (0.55) MAPTRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL17948846 0.77 MAPT (0.55) MAPTRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL17938583 0.75 MAPT (0.55) MAPTRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL17938585 0.74 MAPT (0.59) GPR35MAPTRAB9AHPGDNPC1
SCHEMBL16844437 0.70 MAPT (0.66) MAPTRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL15561067 0.70 F10 (0.74) GPR35MAPTRAB9AABCG2NPC1
SCHEMBL4448025 0.69 CDK7 (0.62) MAPTRAB9AHPGDNPC1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867879-B2 Methods for use of small molecule activators of hem-Y / protoporphyrinogen oxidase (PPO) VANDERBILT UNIVERSITY (US) 2018-01-16 — — US disclosed
US-9867879-B2 Methods for use of small molecule activators of hem-Y / protoporphyrinogen oxidase (PPO) VANDERBILT UNIVERSITY (US) 2018-01-16 — — US disclosed
US-20170246149-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS VANDERBILT UNIVERSITY 2017-08-31 — — US disclosed
US-20170246149-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS VANDERBILT UNIVERSITY 2017-08-31 — — US disclosed
US-20160213780-A1 METHODS FOR USE OF SMALL MOLECULE ACTIVATORS OF HEM-Y / PROTOPORPHYRINOGEN OXIDASE (PPO) VANDERBILT UNIVERSITY 2016-07-28 — — US disclosed
US-20160213780-A1 METHODS FOR USE OF SMALL MOLECULE ACTIVATORS OF HEM-Y / PROTOPORPHYRINOGEN OXIDASE (PPO) VANDERBILT UNIVERSITY 2016-07-28 — — US disclosed
US-20150174130-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS VANDERBILT UNIVERSITY 2015-06-25 — — US disclosed
US-20150174130-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS VANDERBILT UNIVERSITY 2015-06-25 — — 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 (3 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-20160213780-A1 METHODS FOR USE OF SMALL MOLECULE ACTIVATORS OF HEM-Y / PROTOPORPHYRINOGEN OXIDASE (PPO) PPOX, HCCS, HMOX2 GPR35 3313/4885MAPT 4774/4885RAB9A 1246/4885
US-20150174130-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS HMOX1, HMOX2, HMBS GPR35 2988/4885MAPT 3815/4885RAB9A 1155/4885
US-20170246149-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS HMOX1, HMOX2, HMBS GPR35 2988/4885MAPT 3815/4885RAB9A 1155/4885

“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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